Works (314)

Updated: March 2nd, 2024 04:45

2023 article

An integrated chemical engineering approach to understanding microplastics

Bang, R. S., Bergman, M., Li, T., Mukherjee, F., Alshehri, A. S., Abbott, N. L., … You, F. (2023, January 26). AICHE JOURNAL, Vol. 1.

co-author countries: Saudi Arabia 🇸🇦 United States of America 🇺🇸
author keywords: artificial intelligence; biochemical engineering; interfacial processes; microplastic; hermodynamics/statisticaL
Sources: Web Of Science, ORCID
Added: February 20, 2023

2023 article

Computational investigation of the phase behavior of colloidal squares with offset magnetic dipoles

Dorsey, M. A., Velev, O. D., & Hall, C. K. (2023, May 19). SOFT MATTER, Vol. 5.

By: M. Dorsey n, O. Velev n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: June 12, 2023

2023 journal article

Design of 8-mer peptides that block Clostridioides difficile toxin A in intestinal cells

COMMUNICATIONS BIOLOGY, 6(1).

By: S. Sarma n, C. Catella n, E. San Pedro*, X. Xiao n, D. Durmusoglu n, S. Menegatti n, N. Crook n, S. Magness*, C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 27, 2023

2023 article

Effect of sequence pattern on conformation of DOPA-Peptide conjugate aggregates: a discontinuous molecular dynamics simulation study

Chen, A. B., Shao, Q., & Hall, C. K. (2023, August 10). MOLECULAR SIMULATION, Vol. 8.

By: A. Chen n, Q. Shao* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: DOPA; amyloid; discontinuous molecular dynamics; >
Sources: Web Of Science, ORCID
Added: August 21, 2023

2023 journal article

In Silico Design and Analysis of Plastic-Binding Peptides

JOURNAL OF PHYSICAL CHEMISTRY B, 127(39), 8370–8381.

By: M. Bergman n, X. Xiao* & C. Hall n

co-author countries: China 🇨🇳 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: October 16, 2023

2023 journal article

Programming co-assembled peptide nanofiber morphology via anionic amino acid type: Insights from molecular dynamics simulations

PLOS COMPUTATIONAL BIOLOGY, 19(12).

By: X. Dong n, R. Liu*, D. Seroski*, G. Hudalla* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: January 2, 2024

2023 article

Side-Chain Chemistry Governs Hierarchical Order of Charge-Complementary β-sheet Peptide Coassemblies

Liu, R., Dong, X., Seroski, D. T., Soto Morales, B., Wong, K. M., Robang, A. S., … Hudalla, G. A. (2023, November 20). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol. 11.

By: R. Liu*, X. Dong n, D. Seroski*, B. Soto Morales*, K. Wong*, A. Robang*, L. Melgar*, T. Angelini* ...

co-author countries: United States of America 🇺🇸
author keywords: Nanofibers; Peptide; Self-Assembly; Supramolecular Biomaterials
Sources: Web Of Science, ORCID
Added: December 18, 2023

2023 journal article

Using Enhanced Sampling Simulations to Study the Conformational Space of Chiral Aromatic Peptoid Monomers

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 19(24), 9457–9467.

By: R. Jain n, C. Hall n & E. Santiso n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: January 16, 2024

2022 journal article

De novo discovery of peptide-based affinity ligands for the fab fragment of human immunoglobulin G

JOURNAL OF CHROMATOGRAPHY A, 1669.

By: X. Xiao n, R. Kilgore n, S. Sarma n, W. Chu n, S. Menegatti n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Affinity ligands; Ligand design; Biorecognition; Protein chromatography; Fragment antigen binding
MeSH headings : Humans; Immunoglobulin Fab Fragments / chemistry; Immunoglobulin G; Ligands; Peptides; Tissue Distribution
Sources: Web Of Science, ORCID
Added: May 2, 2022

2022 journal article

Computational Design and Experimental Validation of ACE2-Derived Peptides as SARS-CoV-2 Receptor Binding Domain Inhibitors

JOURNAL OF PHYSICAL CHEMISTRY B, 126(41), 8129–8139.

By: S. Sarma, S. Herrera, X. Xiao, G. Hudalla & C. Hall

Sources: Web Of Science, ORCID
Added: November 7, 2022

2022 article

Computational Design and Experimental Validation of ACE2-Derived Peptides as SARS-CoV-2 Receptor Binding Domain Inhibitors

Sarma, S., Herrera, S. M., Xiao, X., Hudalla, G. A., & Hall, C. K. (2022, October 11). JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 10.

By: S. Sarma n, S. Herrera*, X. Xiao n, G. Hudalla* & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Humans; Angiotensin-Converting Enzyme 2; SARS-CoV-2; Spike Glycoprotein, Coronavirus / chemistry; Pandemics; Tryptophan / metabolism; COVID-19; Protein Binding; Peptides / metabolism
Sources: Web Of Science, ORCID
Added: November 7, 2022

2022 journal article

Sequence patterns and signatures: Computational and experimental discovery of amyloid-forming peptides

PNAS NEXUS, 1(5).

By: X. Xiao n, A. Robang*, S. Sarma n, J. Le*, M. Helmicki*, M. Lambert*, R. Guerrero-Ferreira*, J. Arboleda-Echavarria*, A. Paravastu*, C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: peptide assembly design; discontinuous molecular dynamics; amyloid-forming peptides; fourier-transform infrared spectroscopy; transmission electron microscopy
Sources: Web Of Science, ORCID
Added: October 23, 2023

2021 article

A tribute to Keith E. Gubbins

Cummings, P. T., Harold, M. P., Hall, C. K., Jackson, G. G., & Palmer, J. C. (2021, March). AICHE JOURNAL, Vol. 67.

By: P. Cummings*, M. Harold*, C. Hall n, G. Jackson* & J. Palmer*

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: February 15, 2021

2021 review

Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis

[Review of ]. CHEMICAL REVIEWS, 121(4), 2545–2647.

co-author countries: China 🇨🇳 Germany 🇩🇪 France 🇫🇷 United Kingdom of Great Britain and Northern Ireland 🇬🇧 Israel 🇮🇱 Italy 🇮🇹 Mexico 🇲🇽 Poland 🇵🇱 United States of America 🇺🇸 Viet Nam 🇻🇳
MeSH headings : Alzheimer Disease / metabolism; Alzheimer Disease / pathology; Amyloid / chemistry; Amyloid / metabolism; Amyloid beta-Peptides / chemistry; Amyloid beta-Peptides / metabolism; Amyotrophic Lateral Sclerosis / genetics; Amyotrophic Lateral Sclerosis / metabolism; Amyotrophic Lateral Sclerosis / pathology; Animals; Diabetes Mellitus, Type 2 / metabolism; Diabetes Mellitus, Type 2 / pathology; Humans; Islet Amyloid Polypeptide / chemistry; Islet Amyloid Polypeptide / metabolism; Models, Molecular; Neurodegenerative Diseases / metabolism; Neurodegenerative Diseases / pathology; Parkinson Disease / metabolism; Parkinson Disease / pathology; Protein Aggregation, Pathological; Proteostasis Deficiencies / metabolism; Superoxide Dismutase-1 / chemistry; Superoxide Dismutase-1 / metabolism; alpha-Synuclein / chemistry; alpha-Synuclein / metabolism; tau Proteins / chemistry; tau Proteins / metabolism
Sources: Web Of Science, ORCID
Added: March 29, 2021

2021 article

Autobiography of Carol K. Hall Preface

Hall, C. K. (2021, October 21). JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 125, pp. 11343–11349.

By: C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: November 15, 2021

2021 journal article

CATCH Peptides Coassemble into Structurally Heterogeneous beta-Sheet Nanofibers with Little Preference to beta-Strand Alignment

JOURNAL OF PHYSICAL CHEMISTRY B, 125(16), 4004–4015.

By: K. Wong*, Q. Shao*, Y. Wang n, D. Seroski*, R. Liu*, A. Lint*, G. Hudalla*, C. Hall n, A. Paravastu*

co-author countries: United States of America 🇺🇸
MeSH headings : Amino Acid Sequence; Molecular Dynamics Simulation; Nanofibers; Peptides; Protein Conformation, beta-Strand
Sources: Web Of Science, ORCID
Added: June 10, 2021

2021 journal article

De novo design of peptides that coassemble into beta sheet-based nanofibrils

SCIENCE ADVANCES, 7(36).

By: X. Xiao n, Y. Wang n, D. Seroski*, K. Wong*, R. Liu*, A. Paravastu*, G. Hudalla*, C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: September 27, 2021

2021 article

Engineering beta-Sheet Peptide Coassemblies for Biomaterial Applications

Wong, K. M., Robang, A. S., Lint, A. H., Wang, Y., Dong, X., Xiao, X., … Paravastu, A. K. (2021, December 14). JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 12.

By: K. Wong*, A. Robang*, A. Lint*, Y. Wang n, X. Dong n, X. Xiao n, D. Seroski*, R. Liu* ...

co-author countries: United States of America 🇺🇸
MeSH headings : Biocompatible Materials; Magnetic Resonance Spectroscopy; Nanostructures; Peptides; Protein Conformation, beta-Strand
Sources: Web Of Science, ORCID
Added: January 3, 2022

2021 article

In Silico Identification and Experimental Validation of Peptide-Based Inhibitors Targeting Clostridium difficile Toxin A

Xiao, X., Sarma, S., Menegatti, S., Crook, N., Magness, S. T., & Hall, C. K. (2021, December 29). ACS CHEMICAL BIOLOGY, Vol. 12.

By: X. Xiao n, S. Sarma n, S. Menegatti n, N. Crook n, S. Magness* & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Bacterial Toxins / antagonists & inhibitors; Bacterial Toxins / chemistry; Computer Simulation; Drug Design; Enterotoxins / antagonists & inhibitors; Enterotoxins / chemistry; Models, Molecular; Peptides / chemistry; Peptides / pharmacology; Protein Binding; Protein Conformation; Protein Domains; Reproducibility of Results
Sources: Web Of Science, ORCID
Added: December 30, 2021

2021 journal article

Keith E. Gubbins: A retrospective

AICHE JOURNAL, 67(3).

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: March 1, 2021

2021 journal article

Membrane morphologies induced by mixtures of arc-shaped particles with opposite curvature

SOFT MATTER, 17(2), 268–275.

By: F. Bonazzi*, C. Hall n & T. Weikl*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
MeSH headings : Cell Membrane; Endoplasmic Reticulum; Membranes
Sources: Web Of Science, ORCID
Added: February 15, 2021

2021 journal article

Molecular simulation study of 3,4-dihydroxyphenylalanine in the context of underwater adhesive design

JOURNAL OF CHEMICAL PHYSICS, 154(14).

By: A. Chen n, Q. Shao* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: June 10, 2021

2021 journal article

On the liquid demixing of water plus elastin-like polypeptide mixtures: bimodal re-entrant phase behaviour

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23(10), 5936–5944.

By: T. Lindeboom*, B. Zhao n, G. Jackson*, C. Hall n & A. Galindo*

co-author countries: Canada 🇨🇦 United Kingdom of Great Britain and Northern Ireland 🇬🇧 Japan 🇯🇵 United States of America 🇺🇸
MeSH headings : Computer Simulation; Elastin / chemistry; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Models, Molecular; Peptides / chemistry; Phase Transition; Solvents / chemistry; Thermodynamics; Transition Temperature
Sources: Web Of Science, ORCID
Added: April 5, 2021

2021 journal article

Structural insights into peptide self-assembly using photo-induced crosslinking experiments and discontinuous molecular dynamics

AICHE JOURNAL, 67(3).

By: S. Bunce*, Y. Wang n, S. Radford*, A. Wilson* & C. Hall n

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
author keywords: amyloid‐ forming peptide; discontinuous molecular dynamics; peptide self assembly; photo‐ induced crosslinking
Sources: Web Of Science, ORCID
Added: November 24, 2020

2020 article

A ChemE Grows in Brooklyn

ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 11, Vol. 11, pp. 1–22.

By: C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: molecular thermodynamics; phase transitions; protein aggregation; protein design; hydrogen in metals
MeSH headings : Autobiographies as Topic; Chemical Engineering; Female; Humans; Phase Transition; Protein Aggregates; Proteins / chemistry; Proteins / metabolism; Thermodynamics
Sources: Web Of Science, ORCID
Added: December 11, 2020

2020 journal article

A multiscale coarse-grained model to predict the molecular architecture and drug transport properties of modified chitosan hydrogels

SOFT MATTER, 16(47).

By: A. Singhal*, J. Schneible n, R. Lilova n, C. Hall n, S. Menegatti n & A. Grafmueller

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
MeSH headings : Chitosan; Doxorubicin; Drug Liberation; Hydrogels; Polymers
Sources: Web Of Science, ORCID
Added: January 4, 2021

2020 journal article

Anatomy of a selectively coassembled beta-sheet peptide nanofiber

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 117(9), 4710–4717.

By: Q. Shao n, K. Wong*, D. Seroski*, Y. Wang n, R. Liu*, A. Paravastu*, G. Hudalla*, C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: coassembly; peptides; fibril; beta-barrel; coarse-grained simulation
MeSH headings : Amyloid / chemistry; Computer Simulation; Nanofibers / chemistry; Polymerization; Protein Conformation, beta-Strand; Protein Multimerization; Static Electricity
Sources: Web Of Science, ORCID
Added: March 30, 2020

2020 journal article

Charge guides pathway selection in beta-sheet fibrillizing peptide co-assembly

COMMUNICATIONS CHEMISTRY, 3(1).

By: D. Seroski*, X. Dong n, K. Wong*, R. Liu*, Q. Shao n, A. Paravastu*, C. Hall n, G. Hudalla*

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: December 21, 2020

2020 journal article

Clustering and Phase Separation in Mixtures of Dipolar and Active Particles in an External Field

LANGMUIR, 36(23), 6378–6387.

By: R. Maloney n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: July 13, 2020

2020 journal article

Development of a coarse-grained lipid model, LIME 2.0, for DSPE using multistate iterative Boltzmann inversion and discontinuous molecular dynamics simulations

FLUID PHASE EQUILIBRIA, 521.

By: K. Wang n, Y. Wang n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Coarse-graining; Multi-state iterative Boltzmann inversion; Multiple square well; Discontinuous molecular dynamics; simulation; Lipid bilayer
Sources: Web Of Science, ORCID
Added: September 7, 2020

2020 journal article

Dynamical self-assembly of dipolar active Brownian particles in two dimensions

SOFT MATTER, 16(9), 2208–2223.

By: G. Liao*, C. Hall n & S. Klapp*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: March 30, 2020

2020 article

Dynamical self-assembly of dipolar active Brownian particles in two dimensions (vol 16, pg 2208, 2020)

Liao, G.-J., Hall, C. K., & Klapp, S. H. L. (2020, July 21). SOFT MATTER, Vol. 16, pp. 6443–6443.

By: G. Liao*, C. Hall n & S. Klapp*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 3, 2020

2020 journal article

In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors

JOURNAL OF PHYSICAL CHEMISTRY B, 124(1), 61–68.

By: X. Xiao n, Z. Kuang*, B. Burke*, Y. Chushak*, B. Farmer*, P. Mirau*, R. Naik*, C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Algorithms; Amino Acid Sequence; Biomarkers / metabolism; Humans; Kinetics; Molecular Dynamics Simulation; Neuropeptide Y / analysis; Neuropeptide Y / chemistry; Neuropeptide Y / metabolism; Peptides / chemistry; Peptides / metabolism; Protein Binding; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: February 3, 2020

2020 journal article

Molecular complementarity and structural heterogeneity within co-assembled peptide beta-sheet nanofibers

NANOSCALE, 12(7), 4506–4518.

By: K. Wong*, Y. Wang n, D. Seroski*, G. Larkin*, A. Mehta*, G. Hudalla*, C. Hall n, A. Paravastu*

co-author countries: United States of America 🇺🇸
MeSH headings : Nanofibers / chemistry; Peptides / chemistry; Protein Conformation, beta-Strand; Spectroscopy, Fourier Transform Infrared
Sources: Web Of Science, ORCID
Added: May 26, 2020

2020 journal article

Novel peptide ligands for antibody purification provide superior clearance of host cell protein impurities

JOURNAL OF CHROMATOGRAPHY A, 1625.

By: H. Reese n, X. Xiao n, C. Shanahan n, G. Driessche n, D. Fourches n, R. Carbonell n, C. Hall n, S. Menegatti n

co-author countries: United States of America 🇺🇸
author keywords: Peptide affinity ligands; Protein A; mAb purification; Affinity chromatography; Peptide design
MeSH headings : Amino Acid Sequence; Animals; Antibodies, Monoclonal / isolation & purification; Antibodies, Monoclonal / metabolism; CHO Cells; Chromatography, Affinity / methods; Cricetinae; Cricetulus; Immunoglobulin G / isolation & purification; Immunoglobulin G / metabolism; Ligands; Peptides / chemical synthesis; Peptides / chemistry; Peptides / metabolism; Protein Binding; Staphylococcal Protein A / chemistry; Staphylococcal Protein A / metabolism
Sources: Web Of Science, ORCID
Added: August 10, 2020

2019 journal article

Characterising the throat diameter of through-pores in network structures using a percolation criterion

MOLECULAR PHYSICS, 117(23-24), 3614–3622.

By: K. Wang n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Pore throat; percolation; computation; porous materials
Sources: Web Of Science, ORCID
Added: September 3, 2019

2019 journal article

Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice

BIOCHEMISTRY, 58(13), 1718–1727.

By: A. Patterson-Orazem*, S. Hill*, Y. Wang n, I. Dominic*, C. Hall n & R. Lieberman*

co-author countries: United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Amyloid / genetics; Animals; Crystallography, X-Ray; Cytoskeletal Proteins / chemistry; Cytoskeletal Proteins / genetics; Extracellular Matrix Proteins / chemistry; Eye Proteins / chemistry; Eye Proteins / genetics; Glaucoma / genetics; Glycoproteins / chemistry; Glycoproteins / genetics; Humans; Mice; Models, Molecular; Point Mutation; Protein Aggregates; Protein Conformation; Protein Domains; Protein Folding; Protein Stability
Sources: Web Of Science, ORCID
Added: April 22, 2019

2019 journal article

Molecular insights into the surface-catalyzed secondary nucleation of amyloid-beta(40) (A beta(40)) by the peptide fragment A beta(16-22)

SCIENCE ADVANCES, 5(6).

By: S. Bunce*, Y. Wang n, K. Stewart*, A. Ashcroft*, S. Radford*, C. Hall n, A. Wilson*

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
MeSH headings : Amino Acid Motifs; Amyloid beta-Peptides / chemistry; Amyloid beta-Peptides / metabolism; Catalysis; Dimerization; Kinetics; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Peptide Fragments / metabolism; Protein Structure, Tertiary; Surface Properties
Sources: Web Of Science, ORCID
Added: July 22, 2019

2019 article

Peter Cummings - a pillar in the field of statistical mechanics and molecular simulation FOREWORD

MOLECULAR PHYSICS, Vol. 117, pp. 3479–3483.

By: C. Hall, D. Kofke, A. Galindo, A. Gil-Villegas, A. Striolo & G. Jackson

Sources: Web Of Science, ORCID
Added: April 27, 2020

2019 journal article

Tailoring the Chemical Modification of Chitosan Hydrogels to Fine-Tune the Release of a Synergistic Combination of Chemotherapeutics

BIOMACROMOLECULES, 20(8), 3126–3141.

By: J. Schneible n, A. Singhal*, R. Lilova n, C. Hall n, A. Grafmueller & S. Menegatti n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
MeSH headings : Antineoplastic Combined Chemotherapy Protocols / chemistry; Antineoplastic Combined Chemotherapy Protocols / pharmacology; Breast Neoplasms / drug therapy; Chitosan / chemistry; Deoxycytidine / administration & dosage; Deoxycytidine / analogs & derivatives; Doxorubicin / administration & dosage; Drug Carriers / chemistry; Drug Liberation; Drug Synergism; Female; Humans; Hydrogels / chemistry; Polymers / chemistry; Gemcitabine
Sources: Web Of Science, ORCID
Added: September 3, 2019

2019 journal article

Thermodynamic phase diagram of amyloid-β (16–22) peptide

Proceedings of the National Academy of Sciences, 116(6), 2091–2096.

By: Y. Wang n, S. Bunce*, S. Radford*, A. Wilson*, S. Auer* & C. Hall n

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
author keywords: phase diagram; solubility; amyloid; protein aggregation; coarse-grained simulation
MeSH headings : Amyloid / chemistry; Amyloid / metabolism; Amyloid / ultrastructure; Amyloid beta-Peptides / chemistry; Amyloid beta-Peptides / metabolism; Peptide Fragments; Protein Aggregates; Protein Binding; Protein Conformation; Protein Multimerization; Solubility; Thermodynamics
Sources: Web Of Science, Crossref, ORCID
Added: February 18, 2019

2018 journal article

Advancing Peptide-Based Biorecognition Elements for Biosensors Using in-Silico Evolution

ACS SENSORS, 3(5), 1024–1031.

By: X. Xiao n, Z. Kuang*, J. Slocik*, S. Tadepalli*, M. Brothers*, S. Kim*, P. Mirau*, C. Butkus* ...

co-author countries: United States of America 🇺🇸
author keywords: troponin I; biorecognition elements; biosensor; phage displayed peptides; LSPR; computational modeling
MeSH headings : Amino Acid Sequence; Biomarkers / analysis; Biosensing Techniques / methods; Circular Dichroism; Computer Simulation; Dielectric Spectroscopy; Humans; Immunoassay; Limit of Detection; Microscopy, Electron, Scanning; Peptides / chemistry; Reproducibility of Results; Surface Plasmon Resonance; Troponin I / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 journal article

Computational Study of DNA-Cross-Linked Hydrogel Formation for Drug Delivery Applications

MACROMOLECULES, 51(23), 9758–9768.

By: K. Wang n, T. Betancourt* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: January 7, 2019

2018 journal article

Development of a simple coarse-grained DNA model for analysis of oligonucleotide complex formation

MOLECULAR SIMULATION, 44(12), 1004–1015.

By: K. Wang n, K. Barker*, S. Benner n, T. Betancourt* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: DNA; hybridisation; coarse-grained molecular dynamics; FRET; DNA hydrogels
Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 journal article

Fibrillation of A-Beta Peptides in Presence of Phenolic Inhibitors: Coarse-Grained Simulations

Biophysical Journal, 114(3), 431a.

By: C. Hall n & Y. Wang n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: March 13, 2020

2018 journal article

Phase diagrams of mixtures of dipolar rods and discs

SOFT MATTER, 14(38), 7894–7905.

By: R. Maloney n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: November 12, 2018

2018 journal article

Seeding and cross-seeding fibrillation of N-terminal prion protein peptides PrP(120-144)

Protein Science, 27(7), 1304–1313.

By: Y. Wang n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: coarse-grained molecular dynamics; cross-seeding aggregation; prion protein fragments; amyloid formation; fibril elongation
MeSH headings : Amyloid / chemistry; Animals; Arvicolinae; Circular Dichroism; Humans; Hydrophobic and Hydrophilic Interactions; Kinetics; Mesocricetus; Models, Molecular; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Prion Proteins / chemistry; Protein Structure, Secondary
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2018 journal article

Selectivity of Glycine for Facets on Gold Nanoparticles

JOURNAL OF PHYSICAL CHEMISTRY B, 122(13), 3491–3499.

By: Q. Shao n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Glycine / chemistry; Gold / chemistry; Metal Nanoparticles / chemistry; Models, Molecular
Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 journal article

Simulations and Experiments Delineate Amyloid Fibrilization by Peptides Derived from Glaucoma-Associated Myocilin

JOURNAL OF PHYSICAL CHEMISTRY B, 122(22), 5845–5850.

co-author countries: United States of America 🇺🇸
MeSH headings : Amino Acid Sequence; Amyloid / metabolism; Cytoskeletal Proteins / chemistry; Cytoskeletal Proteins / metabolism; Eye Proteins / chemistry; Eye Proteins / metabolism; Glaucoma, Open-Angle / metabolism; Glaucoma, Open-Angle / pathology; Glycoproteins / chemistry; Glycoproteins / metabolism; Humans; Molecular Dynamics Simulation; Nuclear Magnetic Resonance, Biomolecular; Peptides / chemistry; Peptides / metabolism; Protein Aggregates / physiology; Protein Conformation, beta-Strand
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Aggregation of A beta(17-36) in the Presence of Naturally Occurring Phenolic Inhibitors Using Coarse-Grained Simulations

JOURNAL OF MOLECULAR BIOLOGY, 429(24), 3893–3908.

By: Y. Wang n, D. Latshaw n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: discontinuous molecular dynamics; protein aggregation; polyphenol; amyloid beta; inhibitory mechanism
MeSH headings : Amyloid beta-Peptides / chemistry; Anti-Inflammatory Agents, Non-Steroidal / pharmacology; Antioxidants / pharmacology; Benzaldehydes / pharmacology; Catechin / analogs & derivatives; Catechin / pharmacology; Curcumin / pharmacology; Hydrophobic and Hydrophilic Interactions; Molecular Dynamics Simulation; Protein Aggregates / drug effects; Resveratrol; Stilbenes / pharmacology
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Aggregation of amphipathic peptides at an aqueous-organic interface using coarse-grained simulations

MOLECULAR SIMULATION, 43(17), 1448–1458.

By: D. Latshaw n, T. Randolph* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Amphipathic; monolayer; simulation; interface; aggregation
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Allosteric effects of gold nanoparticles on human serum albumin

NANOSCALE, 9(1), 380–390.

By: Q. Shao n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Binding Sites; Gold / chemistry; Humans; Metal Nanoparticles / chemistry; Molecular Dynamics Simulation; Protein Binding; Protein Structure, Secondary; Serum Albumin; Serum Albumin, Human / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Amyloid Beta Aggregation in the Presence of Naturally-Derived Inhibitors

Biophysical Journal, 112(3), 365a.

By: C. Hall n, Y. Wang n & D. Latshaw n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: March 13, 2020

2017 journal article

Extended Concerted Rotation Technique Enhances the Sampling Efficiency of the Computational Peptide-Design Algorithm

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13(11), 5709–5720.

By: X. Xiao n, Y. Wang n, J. Leonard* & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Algorithms; Molecular Dynamics Simulation; Peptides / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Formation of limit-periodic structures by quadrupole particles confined to a triangular lattice

PHYSICAL REVIEW E, 95(1).

By: D. Rutkowski n, C. Marcoux*, J. Socolar* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

N-terminal prion protein peptides (PrP(120–144)) form parallel in-register β-sheets via multiple nucleation-dependent pathways.

Journal of Biological Chemistry, 292(50), 20655–20655.

By: Y. Wang, Q. Shao & C. Hall*

Sources: Crossref, ORCID
Added: March 13, 2020

2017 journal article

Nanoparticle-induced assembly of hydrophobically modified chitosan

MOLECULAR SIMULATION, 43(9), 664–674.

By: S. Benner n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Chitosan; polymer; self-assembly; nanoparticle; simulation
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Navigating in foldonia: Using accelerated molecular dynamics to explore stability, unfolding and self-healing of the beta-solenoid structure formed by a silk-like polypeptide

PLOS COMPUTATIONAL BIOLOGY, 13(3).

By: B. Zhao n, M. Stuart* & C. Hall n

co-author countries: Netherlands 🇳🇱 United States of America 🇺🇸
MeSH headings : Models, Chemical; Molecular Dynamics Simulation; Peptides / chemistry; Protein Conformation; Protein Domains; Protein Folding; Protein Unfolding; Silk / chemistry; Silk / ultrastructure
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR

Langmuir, 33(42), 11733–11745.

By: B. Zhao n, T. Lindeboom*, S. Benner n, G. Jackson*, A. Galindo* & C. Hall n

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: March 29, 2019

2017 journal article

Preface to the Tribute to Keith E. Gubbins, Pioneer in the Theory of Liquids Special Issue

Langmuir, 33(42), 11095–11101.

By: S. Jiang* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: March 29, 2019

2017 journal article

Simulation study on the structural properties of colloidal particles with offset dipoles

SOFT MATTER, 13(17), 3134–3146.

By: D. Rutkowski n, O. Velev n, S. Klapp* & C. Hall n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

The Impact of Colloidal Surface-Anchoring on the Smectic A Phase

LANGMUIR, 33(9), 2222–2234.

By: S. Pueschel-Schlotthauer, V. Turrion*, C. Hall n, M. Mazza* & M. Schoen n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 chapter

A Discontinuous Potential Model for Protein–Protein Interactions

In Foundations of Molecular Modeling and Simulation (pp. 1–20).

By: Q. Shao n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Coarse-grained model; Protein-protein interactions; Discontinuous molecular dynamics; Square-well potential; Osmotic second virial coefficient
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2016 journal article

A novel model for smectic liquid crystals: Elastic anisotropy and response to a steady-state flow

JOURNAL OF CHEMICAL PHYSICS, 145(16).

By: S. Pueschel-Schlotthauer, V. Turrion*, T. Stieger*, R. Grotjahn*, C. Hall n, M. Mazza*, M. Schoen n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Adding energy minimization strategy to peptide-design algorithm enables better search for RNA-binding peptides: Redesigned N peptide binds boxB RNA

JOURNAL OF COMPUTATIONAL CHEMISTRY, 37(27), 2423–2435.

By: X. Xiao n, M. Hung*, J. Leonard* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: peptide-design algorithm; N peptide-boxB RNA; RNA-binding peptide; RNA tethering; energy minimization strategy
MeSH headings : Algorithms; Molecular Dynamics Simulation; Peptide Library; Peptides / chemistry; RNA, Viral / chemistry; RNA-Binding Proteins / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Binding Preferences of Amino Acids for Gold Nanoparticles: A Molecular Simulation Study

LANGMUIR, 32(31), 7888–7896.

By: Q. Shao n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amino Acids / chemistry; Gold / chemistry; Metal Nanoparticles / chemistry; Models, Chemical
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Capillary Bridging as a Tool for Assembling Discrete Clusters of Patchy Particles

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 138(45), 14948–14953.

By: B. Bharti n, D. Rutkowski n, K. Han n, A. Kumar n, C. Hall n & O. Velev n

co-author countries: United States of America 🇺🇸

Contributors: B. Bharti n, D. Rutkowski n, K. Han n, A. Kumar n, C. Hall n & O. Velev n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Development of a Coarse-Grained Model of Chitosan for Predicting Solution Behavior

JOURNAL OF PHYSICAL CHEMISTRY B, 120(29), 7253–7264.

By: S. Benner n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Dock 'n roll: folding of a silk-inspired polypeptide into an amyloid-like beta solenoid

SOFT MATTER, 12(16), 3721–3729.

By: B. Zhao n, M. Stuart* & C. Hall n

co-author countries: Netherlands 🇳🇱 United States of America 🇺🇸
MeSH headings : Amino Acid Motifs; Amyloid beta-Peptides / chemistry; Animals; Humans; Hydrogen Bonding; Nuclear Magnetic Resonance, Biomolecular; Protein Folding; Silk / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Effect of Monomer Sequence and Degree of Acetylation on the Self-Assembly and Porosity of Chitosan Networks in Solution

MACROMOLECULES, 49(14), 5281–5290.

By: S. Benner n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 article

Fifty years of liquid state physics Preface

Ciach, A., Hall, C. K., Kahl, G., & Lomba, E. (2016, October 19). JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 28.

By: A. Ciach*, C. Hall n, G. Kahl* & E. Lomba*

co-author countries: Austria 🇦🇹 Spain 🇪🇸 Poland 🇵🇱 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 article

George Stell (1933-2014) Obituary

Ciach, A., Hall, C., Kahl, G., & Lomba, E. (2016, October 19). JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 28.

By: A. Ciach*, C. Hall n, G. Kahl* & E. Lomba

co-author countries: Austria 🇦🇹 Poland 🇵🇱 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Introducing folding stability into the score function for computational design of RNA-binding peptides boosts the probability of success

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 84(5), 700–711.

By: X. Xiao n, P. Agris* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: peptide design; search algorithm; atomistic molecular dynamics simulation; tRNA(UUU)(Lys3); binding affinity and specificity
MeSH headings : Algorithms; Computational Biology / methods; Drug Design; Humans; Molecular Dynamics Simulation; Peptides / chemistry; Peptides / metabolism; Protein Binding; Protein Folding; Protein Stability; RNA, Transfer, Lys / chemistry; RNA, Transfer, Lys / metabolism; RNA-Binding Proteins / chemistry; RNA-Binding Proteins / metabolism; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

LCST Behavior is Manifested in a Single Molecule: Elastin-Like polypeptide (VPGVG)n

BIOMACROMOLECULES, 17(1), 111–118.

By: B. Zhao n, N. Li n, Y. Yingling n & C. Hall n

co-author countries: United States of America 🇺🇸

Contributors: C. Hall n, Y. Yingling n, N. Li n & B. Zhao n

MeSH headings : Cold Temperature; Elastin / chemistry; Hydrogen Bonding; Oligopeptides / chemistry; Peptides / chemistry; Pharmaceutical Solutions / chemistry; Transition Temperature; Water / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Multidirectional colloidal assembly in concurrent electric and magnetic fields

SOFT MATTER, 12(37), 7747–7758.

By: B. Bharti n, F. Kogler*, C. Hall n, S. Klapp* & O. Velev n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸

Contributors: B. Bharti n, F. Kogler*, C. Hall n, S. Klapp* & O. Velev n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

N-terminal Prion Protein Peptides (PrP(120-144)) Form Parallel In-register beta-Sheets via Multiple Nucleation-dependent Pathways

JOURNAL OF BIOLOGICAL CHEMISTRY, 291(42), 22093–22105.

By: Y. Wang n, Q. Shao n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: fibril; kinetics; prion disease; protein aggregation; thermodynamics; amino acid substitution; amyloid core; discontinuous molecular dynamics
MeSH headings : Amyloid / chemistry; Animals; Arvicolinae; Cricetinae; Humans; Mesocricetus; PrPC Proteins / chemistry; Protein Aggregates; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Protein adsorption on nanoparticles: model development using computer simulation

JOURNAL OF PHYSICS-CONDENSED MATTER, 28(41).

By: Q. Shao n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: protein corona; discontinuous molecular dynamics simulation; adsorption model
MeSH headings : Adsorption; Computer Simulation; Kinetics; Nanoparticles; Proteins / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Simulation study of the ability of a computationally-designed peptide to recognize target tRNA(Lys3) and other decoy tRNAs

PROTEIN SCIENCE, 25(12), 2243–2255.

By: X. Xiao n, B. Zhao n, P. Agris* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: binding uniqueness; target tRNA(Lys3) UUU; binding of RNA and peptide; molecular recognition mechanism
MeSH headings : Humans; Molecular Dynamics Simulation; Peptides / chemistry; RNA, Transfer, Lys / chemistry; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

The effect of charge separation on the phase behavior of dipolar colloidal rods

SOFT MATTER, 12(22), 4932–4943.

By: D. Rutkowski n, O. Velev n, S. Klapp* & C. Hall n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸

Contributors: D. Rutkowski n, O. Velev n, S. Klapp* & C. Hall n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Designing Peptide Sequences in Flexible Chain Conformations to Bind RNA: A Search Algorithm Combining Monte Carlo, Self-Consistent Mean Field and Concerted Rotation Techniques

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11(2), 740–752.

By: X. Xiao n, P. Agris* & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Algorithms; Amino Acid Sequence; Anti-HIV Agents / chemical synthesis; Anti-HIV Agents / chemistry; Binding Sites; Humans; Molecular Dynamics Simulation; Monte Carlo Method; Peptides / chemical synthesis; Peptides / chemistry; Protein Conformation; RNA / chemistry; RNA, Transfer / chemistry; Rotation; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Effects of Hydrophobic Macromolecular Crowders on Amyloid beta (16-22) Aggregation

BIOPHYSICAL JOURNAL, 109(1), 124–134.

By: D. Latshaw n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amyloid beta-Peptides / chemistry; Computer Simulation; Hydrophobic and Hydrophilic Interactions; Models, Chemical; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Protein Multimerization; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Generic model for tunable colloidal aggregation in multidirectional fields

SOFT MATTER, 11(37), 7356–7366.

By: F. Kogler*, O. Velev n, C. Hall n & S. Klapp*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸

Contributors: F. Kogler*, O. Velev n, C. Hall n & S. Klapp*

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Modeling nanoparticle wrapping or translocation in bilayer membranes

NANOSCALE, 7(34), 14505–14514.

By: E. Curtis n, A. Bahrami n, T. Weikl* & C. Hall n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
MeSH headings : 1,2-Dipalmitoylphosphatidylcholine / chemistry; Hydrophobic and Hydrophilic Interactions; Lipid Bilayers / chemistry; Molecular Dynamics Simulation; Nanoparticles / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Molecular recognition mechanism of peptide chain bound to the tRNA(Lys3) anticodon loop in silico

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 33(1), 14–27.

By: X. Xiao n, P. Agris* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: molecular recognition; binding free energy; atomistic molecular dynamics simulation; binding affinity and specificity; peptide and tRNA(Lys3)
MeSH headings : Algorithms; Amino Acid Sequence; Amino Acids / chemistry; Amino Acids / metabolism; Anticodon / chemistry; Anticodon / genetics; Anticodon / metabolism; Computer Simulation; Humans; Models, Molecular; Molecular Sequence Data; Nucleic Acid Conformation; Peptides / chemistry; Peptides / metabolism; Phenylalanine / chemistry; Phenylalanine / metabolism; Protein Binding; Protein Folding; Protein Structure, Secondary; Protein Structure, Tertiary; RNA, Transfer, Lys / chemistry; RNA, Transfer, Lys / metabolism; Static Electricity; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Phase Separation Behavior of Mixed Lipid Systems at Neutral and Low pH: Coarse-Grained Simulations with DMD/LIME

LANGMUIR, 31(3), 1086–1094.

By: E. Curtis n, X. Xiao n, S. Sofou* & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Hydrogen-Ion Concentration; Kinetics; Lipid Bilayers / chemistry; Molecular Dynamics Simulation; Phosphatidylcholines / chemistry; Phosphoserine / chemistry; Temperature; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Proteinlike Copolymers as Encapsulating Agents for Small-Molecule Solutes

LANGMUIR, 31(11), 3518–3526.

By: R. Malik n, J. Genzer n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Hydrophobic and Hydrophilic Interactions; Molecular Dynamics Simulation; Polymers / chemistry; Solutions / chemistry; Solvents / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Simulation Study of Hydrophobically Modified Chitosan as an Oil Dispersant Additive

JOURNAL OF PHYSICAL CHEMISTRY B, 119(23), 6979–6990.

By: S. Benner n, V. John* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Structural Conversion of A beta(17-42) Peptides from Disordered Oligomers to U-Shape Protofilaments via Multiple Kinetic Pathways

PLOS COMPUTATIONAL BIOLOGY, 11(5).

By: M. Cheon*, C. Hall n & I. Chang*

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
MeSH headings : Algorithms; Alzheimer Disease / metabolism; Amyloid beta-Peptides / chemistry; Computational Biology / methods; Computer Simulation; Humans; Hydrophobic and Hydrophilic Interactions; Kinetics; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Protein Folding; Protein Structure, Secondary; Protein Structure, Tertiary; Software; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Amino Acid Signature Enables Proteins to Recognize Modified tRNA

Biochemistry, 53(7), 1125–1133.

By: J. Spears, X. Xiao n, C. Hall n & P. Agris

co-author countries: United States of America 🇺🇸
MeSH headings : Algorithms; Amino Acid Sequence; Amino Acids / metabolism; Humans; Models, Molecular; Monte Carlo Method; RNA, Transfer, Lys / chemistry; RNA, Transfer, Lys / metabolism; Substrate Specificity; gag Gene Products, Human Immunodeficiency Virus / metabolism
Sources: Crossref, ORCID, Web Of Science
Added: August 6, 2018

2014 journal article

Disclination lines at homogeneous and heterogeneous colloids immersed in a chiral liquid crystal

SOFT MATTER, 10(30), 5489–5502.

By: M. Melle*, S. Schlotthauer*, C. Hall n, E. Diaz-Herrera* & M. Schoen n

co-author countries: Germany 🇩🇪 Mexico 🇲🇽 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Effects of Macromolecular Crowding on Amyloid Beta (16-22) Aggregation Using Coarse-Grained Simulations

JOURNAL OF PHYSICAL CHEMISTRY B, 118(47), 13513–13526.

By: D. Latshaw n, M. Cheon* & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Amyloid beta-Peptides / chemistry; Kinetics; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Protein Multimerization
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Gelation and Cross-Linking in Multifunctional Thiol and Multifunctional Acrylate Systems Involving an in Situ Comonomer Catalyst

MACROMOLECULES, 47(2), 821–829.

By: A. Higham n, L. Garber*, D. Latshaw n, C. Hall n, J. Pojman* & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Impact of sequence on the molecular assembly of short amyloid peptides

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 82(7), 1469–1483.

By: V. Wagoner n, M. Cheon*, I. Chang* & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
author keywords: short amyloid peptides; protein aggregation; PRIME20; coarse-grained model; discontinuous molecular dynamics
MeSH headings : Amino Acid Sequence; Amyloid / chemistry; Amyloid / metabolism; Amyloid beta-Peptides / chemistry; Amyloid beta-Peptides / metabolism; Molecular Dynamics Simulation; Protein Conformation
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Molecular Description of the LCST Behavior of an Elastin-Like Polypeptide

BIOMACROMOLECULES, 15(10), 3522–3530.

By: N. Li n, F. Quiroz*, C. Hall*, A. Chilkoti* & Y. Yingling*

co-author countries: United States of America 🇺🇸

Contributors: N. Li n, F. Quiroz*, C. Hall*, A. Chilkoti* & Y. Yingling*

MeSH headings : Cold Temperature; Elastin / chemistry; Hydrophobic and Hydrophilic Interactions; Oligopeptides / chemistry; Peptides / chemistry; Protein Structure, Secondary; Solutions / chemistry; Solvents / chemistry; Transition Temperature; Water / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 chapter

Properties of DNA

In Handbook of Nanomaterials Properties (pp. 1125–1157).

By: R. Pedersen*, A. Marchi*, J. Majikes n, J. Nash n, N. Estrich n, D. Courson n, C. Hall n, S. Craig*, T. LaBean n

co-author countries: United States of America 🇺🇸
author keywords: DNA; Deoxyribonucleic acid; Properties; Structural DNA nanotechnology; Self-assembly
Sources: Crossref, ORCID
Added: March 29, 2019

2014 journal article

The design of a peptide sequence to inhibit HIV replication: a search algorithm combining Monte Carlo and self-consistent mean field techniques

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 32(10), 1523–1536.

By: X. Xiao n, C. Hall n & P. Agris*

co-author countries: United States of America 🇺🇸
author keywords: protein design; Monte Carlo technique; self-consistent mean field theory; search algorithm; binding affinity and specificity
MeSH headings : Algorithms; Amino Acid Sequence; Anticodon; Computational Biology / methods; Drug Design; HIV-1 / drug effects; Humans; Molecular Sequence Data; Monte Carlo Method; Peptides / pharmacology; Protein Structure, Secondary; Protein Structure, Tertiary; Thermodynamics; Virus Replication / drug effects; Water
Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

Wrapping of nanoparticles by membranes

ADVANCES IN COLLOID AND INTERFACE SCIENCE, 208, 214–224.

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
author keywords: Nanoparticles; Membranes; Bending energy
MeSH headings : Adhesiveness; Algorithms; Animals; Biophysical Phenomena; Biophysics / methods; Biophysics / trends; Cell Membrane / chemistry; Elasticity; Energy Transfer; Humans; Lipid Bilayers / chemistry; Models, Biological; Nanoparticles / chemistry; Surface Properties
Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

Effect of Protein-like Copolymers Composition on the Phase Separation Dynamics of a Polymer Blend: A Monte Carlo Simulation

MACROMOLECULES, 46(10), 4207–4214.

By: R. Malik n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

Molecular Dynamics Simulations of DPPC Bilayers Using "LIME", a New Coarse-Grained Model

JOURNAL OF PHYSICAL CHEMISTRY B, 117(17), 5019–5030.

By: E. Curtis n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : 1,2-Dipalmitoylphosphatidylcholine / chemistry; Lipid Bilayers / chemistry; Molecular Dynamics Simulation; Monte Carlo Method; Temperature; Thermodynamics; Water / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

Nanoconfinement-Induced Structures in Chiral Liquid Crystals

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 14(9), 17584–17607.

By: M. Melle*, M. Theile*, C. Hall n & M. Schoen n

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
author keywords: liquid crystal; chirality; cholesteric and blue phases; confinement; Monte Carlo simulation
MeSH headings : Liquid Crystals / chemistry; Monte Carlo Method; Stereoisomerism
Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 journal article

Two-dimensional colloidal networks induced by a uni-axial external field

SOFT MATTER, 9(8), 2518–2524.

By: H. Schmidle*, S. Jaeger, C. Hall n, O. Velev n & S. Klapp*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸

Contributors: H. Schmidle*, S. Jäger*, C. Hall n, O. Velev n & S. Klapp*

Sources: Web Of Science, ORCID
Added: August 6, 2018

2012 journal article

Determining the Polydispersity in Chemical Composition and Monomer Sequence Distribution in Random Copolymers Prepared by Postpolymerization Modification of Homopolymers

ACS MACRO LETTERS, 1(9), 1128–1133.

By: W. Powers*, C. Ryu*, Y. Jhon n, L. Strickland n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2012 journal article

Fibrillization Propensity for Short Designed Hexapeptides Predicted by Computer Simulation

JOURNAL OF MOLECULAR BIOLOGY, 416(4), 598–609.

By: V. Wagoner n, M. Cheon*, I. Chang* & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
author keywords: fibrils; fibrillization propensity; fibril stability; coarse-grained model; discontinuous molecular dynamics
MeSH headings : Alzheimer Disease / metabolism; Amyloid / chemistry; Humans; Molecular Dynamics Simulation; Oligopeptides / chemistry; Polymerization; Prion Diseases / metabolism; Protein Stability; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2012 journal article

Influence of temperature on formation of perfect tau fragment fibrils using PRIME20/DMD simulations

PROTEIN SCIENCE, 21(10), 1514–1527.

By: M. Cheon*, I. Chang n & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
author keywords: amyloid tau-fragment; protein aggregation; steric-zipper interface; coarse-grained model; discontinuous molecular dynamics
MeSH headings : Amino Acids / chemistry; Amino Acids / metabolism; Amyloid / chemistry; Amyloid / metabolism; Computational Biology; Humans; Hydrogen Bonding; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Peptide Fragments / metabolism; Protein Conformation; Temperature; tau Proteins / chemistry; tau Proteins / metabolism
Sources: Web Of Science, ORCID
Added: August 6, 2018

2012 journal article

Phase diagram of two-dimensional systems of dipole-like colloids

SOFT MATTER, 8(5), 1521–1531.

By: H. Schmidle*, C. Hall n, O. Velev n & S. Klapp*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸

Contributors: H. Schmidle*, C. Hall n, O. Velev n & S. Klapp*

Sources: Web Of Science, ORCID
Added: August 6, 2018

2012 journal article

Structural transitions and oligomerization along polyalanine fibril formation pathways from computer simulations

Proteins, 80(6), 1582–1597.

By: E. Phelps n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Amyloid / metabolism; Molecular Dynamics Simulation; Peptides / chemistry; Peptides / metabolism; Protein Conformation; Temperature
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2011 journal article

Computer simulation study of amyloid fibril formation by palindromic sequences in prion peptides

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 79(7), 2132–2145.

By: V. Wagoner n, M. Cheon*, I. Chang* & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
author keywords: computer simulation; peptide; aggregation; coarse-grained model
MeSH headings : Amino Acid Sequence; Amyloid / chemistry; Amyloid / metabolism; Animals; Cricetinae; Inverted Repeat Sequences; Kinetics; Mesocricetus; Mice; Molecular Dynamics Simulation; Peptide Fragments / chemistry; Peptide Fragments / metabolism; Prions / chemistry; Prions / metabolism; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2011 journal article

Effect of copolymer compatibilizer sequence on the dynamics of phase separation of immiscible binary homopolymer blends

SOFT MATTER, 7(22), 10620–10630.

By: R. Malik n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2011 journal article

Encapsulation Efficiency and Micellar Structure of Solute-Carrying Block Copolymer Nanoparticles

MACROMOLECULES, 44(13), 5443–5451.

By: J. Woodhead n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2011 journal article

Phase Separation Dynamics for a Polymer Blend Compatibilized by Protein-like Copolymers: A Monte Carlo Simulation

MACROMOLECULES, 44(20), 8284–8293.

By: R. Malik n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2011 journal article

Spontaneous Formation of Twisted A beta(16-22) Fibrils in Large-Scale Molecular-Dynamics Simulations

BIOPHYSICAL JOURNAL, 101(10), 2493–2501.

By: M. Cheon*, I. Chang* & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
MeSH headings : Amino Acids / metabolism; Amyloid beta-Peptides / chemistry; Hydrophobic and Hydrophilic Interactions; Kinetics; Molecular Dynamics Simulation; Protein Conformation; Scattering, Small Angle; Temperature; Time Factors; X-Ray Diffraction
Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Bicontinuous gels formed by self-assembly of dipolar colloid particles

SOFT MATTER, 6(3), 480–484.

By: A. Goyal n, C. Hall n & O. Velev n

co-author countries: United States of America 🇺🇸

Contributors: A. Goyal n, C. Hall n & O. Velev n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Controlling comonomer distribution in random copolymers by chemical coloring of surface-tethered homopolymers: An insight from discontinuous molecular dynamics simulation

Langmuir, 26(11), 8810–8820.

By: L. Strickland n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2010 journal article

Extending the PRIME model for protein aggregation to all 20 amino acids

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 78(14), 2950–2960.

By: M. Cheon n, I. Chang* & C. Hall n

co-author countries: Korea (Republic of) 🇰🇷 United States of America 🇺🇸
author keywords: knowledge-based potentials; protein aggregation; coarse grained; models; protein force field
MeSH headings : Algorithms; Computer Simulation; Humans; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Models, Molecular; Protein Conformation; Protein Multimerization; Proteins / chemistry; Proteins / metabolism; Software
Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Protein-Like Copolymers (PLCs) as Compatibilizers for Homopolymer Blends

Macromolecules, 43(11), 5149–5157.

By: R. Malik n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID, Web Of Science
Added: August 6, 2018

2010 journal article

Self-assembly in binary mixtures of dipolar colloids: Molecular dynamics simulations

JOURNAL OF CHEMICAL PHYSICS, 133(6).

By: A. Goyal n, C. Hall n & O. Velev n

co-author countries: United States of America 🇺🇸

Contributors: A. Goyal n, C. Hall n & O. Velev n

author keywords: colloids; crystallisation; gels; molecular dynamics method; phase diagrams; self-assembly
MeSH headings : Anisotropy; Colloids / chemistry; Models, Chemical; Molecular Dynamics Simulation; Nanostructures; Particle Size; Phase Transition; Surface Properties
Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Simulation of Mechanically-Assembled Monolayers In Poor Solvent Using Discontinuous Molecular Dynamics

MACROMOLECULES, 43(6), 3072–3080.

By: L. Strickland, C. Hall* & J. Genzer*

Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Simulation of Micelle Formation in the Presence of Solutes

LANGMUIR, 26(19), 15135–15141.

By: J. Woodhead n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Micelles; Molecular Dynamics Simulation
Sources: Web Of Science, ORCID
Added: August 6, 2018

2009 journal article

Design of copolymers with tunable randomness using discontinuous molecular dynamics simulation

Macromolecules, 42(22), 9063–9071.

By: L. Strickland n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2008 journal article

Phase diagram for stimulus-responsive materials containing dipolar colloidal particles

PHYSICAL REVIEW E, 77(3).

By: A. Goyal n, C. Hall n & O. Velev n

co-author countries: United States of America 🇺🇸

Contributors: A. Goyal n, C. Hall n & O. Velev n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2008 journal article

Simulation of mechanically assembled monolayers and polymers in good solvent using discontinuous molecular dynamics

MACROMOLECULES, 41(17), 6573–6581.

By: L. Strickland n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2008 journal article

Solid-liquid phase behavior of ternary mixtures

AICHE JOURNAL, 54(7), 1886–1894.

By: B. Attwood n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: solid-liquid equilibria; ternary phase diagrams classical resolution
Sources: Web Of Science, ORCID
Added: August 6, 2018

2008 journal article

Thermodynamic and kinetic origins of Alzheimer's and related diseases: a chemical engineer's perspective

AICHE JOURNAL, 54(8), 1956–1962.

By: C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: Alzheimer's disease; amyloid
Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 journal article

Computer simulation study of probe-target hybridization in model DNA microarrays: Effect of probe surface density and target concentration

JOURNAL OF CHEMICAL PHYSICS, 127(14).

By: A. Jayaraman n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
MeSH headings : Binding Sites; Biosensing Techniques / methods; Computer Simulation; DNA Probes; Monte Carlo Method; Nucleic Acid Conformation; Nucleic Acid Hybridization; Oligonucleotide Array Sequence Analysis / methods; Probability; Sensitivity and Specificity; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 journal article

Effects of chain length on the aggregation of model polyglutamine peptides: Molecular dynamics simulations

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 66(1), 96–109.

By: A. Marchut n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: protein aggregation; polyglutamine; amyloid; molecular dynamics; intermediate resolution model
MeSH headings : Computer Simulation; Dimerization; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Models, Molecular; Peptides / chemistry; Peptides / metabolism; Protein Folding; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 chapter

Modeling Protein Aggregate Assembly and Structure

In Y. Xu, D. Xu, & J. Liang (Eds.), Computational Methods for Protein Structure Prediction and Modeling (Basic Characterization, pp. 279–317).

By: J. Guo, C. Hall*, Y. Xu* & R. Wetzel

co-author countries: United States of America 🇺🇸

Ed(s): Y. Xu*, D. Xu & J. Liang

Sources: Crossref, ORCID
Added: June 8, 2019

2007 journal article

Obtaining concentration profiles from computer simulation structure factors

MACROMOLECULES, 40(8), 2629–2632.

By: A. Schultz n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 chapter

Simulations of Protein Aggregation

In Misbehaving Proteins (pp. 47–77).

By: C. Hall*, H. Nguyen, A. Marchut & V. Wagoner

Sources: Crossref, ORCID
Added: April 13, 2019

2007 journal article

Solid-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules

Fluid Phase Equilibria, 262(1-2), 1–13.

By: A. Galbraith n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2007 journal article

Theoretical Study of Kinetics of Hybridization in DNA Microarrays

Physical Review E, 76, 011915.

By: A. Jayaraman, E. Santiso, C. Hall & J. Genzer

Source: NC State University Libraries
Added: June 8, 2019

2007 journal article

Theoretical study of kinetics of zipping phenomena in biomimetic polymers

PHYSICAL REVIEW E, 76(1).

By: A. Jayaraman n, E. Santiso n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
MeSH headings : Biomimetic Materials / chemistry; Computer Simulation; Kinetics; Models, Chemical; Models, Molecular; Molecular Conformation; Polymers / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 article

Commentary on: "Assembly of a tetrameric alpha-helical bundle: Computer simulations on an intermediate-resolution protein model" [Proteins 2001;44 : 376-391]

Marchut, A. J., Smith, A. V., & Hall, C. K. (2006, May 15). PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, Vol. 63, pp. 709–710.

By: A. Marchut n, A. Smith & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amino Acids / chemistry; Computer Simulation; Energy Transfer; Hydrogen Bonding; Models, Biological; Models, Molecular; Peptides / chemistry; Polymers / chemistry; Protein Folding; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 article

Computational approaches to fibril structure and formation

AMYLOID, PRIONS, AND OTHER PROTEIN AGGREGATES, PT B, Vol. 412, pp. 338–365.

By: C. Hall* & V. Waggner

MeSH headings : Amyloid / chemistry; Computational Biology / methods; Computer Simulation; Humans; Models, Chemical; Models, Molecular; Protein Conformation; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Computer Simulation Study of Molecular Recognition in Model DNA Microarrays

Biophysical Journal, 91(6), 2227–2236.

By: A. Jayaraman n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
MeSH headings : Computer Simulation; DNA, Single-Stranded / chemistry; Kinetics; Models, Chemical; Monte Carlo Method; Nucleic Acid Hybridization; Oligonucleotide Array Sequence Analysis / methods; Sensitivity and Specificity; Thermodynamics
Sources: Crossref, ORCID, Web Of Science
Added: August 6, 2018

2006 journal article

Side-chain interactions determine amyloid formation by model polyglutamine peptides in molecular dynamics simulations

BIOPHYSICAL JOURNAL, 90(12), 4574–4584.

By: A. Marchut n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amino Acid Sequence; Amyloid / chemical synthesis; Computer Simulation; Dimerization; Models, Chemical; Models, Molecular; Molecular Sequence Data; Motion; Multiprotein Complexes / chemistry; Peptides / chemistry; Protein Conformation; Protein Structure, Tertiary; Structure-Activity Relationship
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 review

Spontaneous fibril formation by polyalanines; Discontinuous molecular dynamics simulations

[Review of ]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 128(6), 1890–1901.

By: H. Nguyen n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Computer Simulation; Hydrophobic and Hydrophilic Interactions; Kinetics; Models, Molecular; Peptides / chemistry; Protein Structure, Secondary; Temperature; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides

COMPUTATIONAL BIOLOGY AND CHEMISTRY, 30(3), 215–218.

By: A. Marchut n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: protein aggregation; polyglutamine; molecular dynamics
MeSH headings : Brain Diseases / etiology; Computer Simulation; Humans; Huntington Disease / etiology; Models, Molecular; Nanotubes; Peptides / chemistry; Protein Conformation; Protein Structure, Secondary
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Vapor-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules

FLUID PHASE EQUILIBRIA, 241(1-2), 175–185.

By: A. Galbraith* & C. Hall*

author keywords: vapor-liquid phase equilibria; Gibbs-Duhem integration; Lennard-Jones potential; Henry's constant
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

Adsorption of comb copolymers on weakly attractive solid surfaces

JOURNAL OF CHEMICAL PHYSICS, 123(6).

By: A. Striolo*, A. Jayaraman n, J. Genzer n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

Computer simulation of block copolymer/nanoparticle composites

MACROMOLECULES, 38(7), 3007–3016.

By: A. Schultz n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

Computer simulation study of pattern transfer in AB diblock copolymer film adsorbed on a heterogeneous surface

JOURNAL OF CHEMICAL PHYSICS, 123(12).

By: A. Jayaraman n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
MeSH headings : Adsorption; Chemistry, Physical / methods; Computer Simulation; Models, Statistical; Molecular Conformation; Monte Carlo Method; Polymers / chemistry; Surface Properties
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

Designing pattern-recognition surfaces for selective adsorption of copolymer sequences using lattice Monte Carlo simulation

PHYSICAL REVIEW LETTERS, 94(7).

By: A. Jayaraman n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
MeSH headings : Adsorption; Biocompatible Materials / chemistry; Computer Simulation; Models, Chemical; Molecular Conformation; Monte Carlo Method; Polymers / chemistry; Surface Properties
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

Kinetics of fibril formation by polyalanine peptides

JOURNAL OF BIOLOGICAL CHEMISTRY, 280(10), 9074–9082.

By: H. Nguyen n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Amyloid / ultrastructure; Computer Simulation; Models, Molecular; Peptides; Protein Conformation
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

Parametric studies of interaction strengths in polymer/CO2 systems: Discontinuous molecular dynamics Simulations

LANGMUIR, 21(16), 7579–7587.

By: Z. Li n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 article

Proceedings of the Tenth International Conference on Properties and Phase Equilibria for Product and Process Design - Preface

Hall, C. K. (2005, February). FLUID PHASE EQUILIBRIA, Vol. 228, pp. 3–3.

By: C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 journal article

The dynamics of single chains within a model polymer melt

The Journal of Chemical Physics, 122(11), 114902.

By: J. McCormick n, C. Hall n & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 13, 2019

2004 journal article

Assembly and kinetic folding pathways of a tetrameric beta-sheet complex: Molecular dynamics simulations on simplified off-lattice protein models

BIOPHYSICAL JOURNAL, 86(1), 31–49.

By: H. Jang n, C. Hall n & Y. Zhou*

co-author countries: United States of America 🇺🇸
MeSH headings : Binding Sites; Computer Simulation; Dimerization; Kinetics; Macromolecular Substances; Models, Chemical; Models, Molecular; Motion; Protein Binding; Protein Folding; Protein Structure, Secondary; Proteins / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Box length search algorithm for molecular simulation of systems containing periodic structures

JOURNAL OF CHEMICAL PHYSICS, 120(4), 2049–2055.

By: A. Schultz n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Effect of pressure on the complete phase behavior of binary mixtures

AICHE JOURNAL, 50(1), 215–225.

By: M. Lamm n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: simulation; molecular; phase equilibrium; computer simulations (MC and MD)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Effect of the solid phase on the global phase behavior of Lennard-Jones mixtures

AICHE JOURNAL, 50(8), 1948–1960.

By: B. Attwood n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: phase diagram; Lennard-Jones mixtures; Gibbs-Duhem integration; critical temperature; equation of state
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Lattice Monte Carlo simulations of phase separation and micellization in supercritical CO2/surfactant systems: Effect of CO2 density

LANGMUIR, 20(2), 514–523.

By: L. Scanu n, K. Gubbins n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 101(46), 16180–16185.

By: H. Nguyen n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: amyloid; protein aggregation
MeSH headings : Amyloid / chemistry; Biophysical Phenomena; Biophysics; Humans; In Vitro Techniques; Models, Molecular; Multiprotein Complexes; Peptides / chemistry; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Molecular simulation of binary vapour-liquid equilibria with components differing largely in volatility

MOLECULAR PHYSICS, 102(3), 301–317.

By: A. Van 'T Hof*, S. De Leeuw*, C. Hall n & C. Peters*

co-author countries: Netherlands 🇳🇱 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

P1-265 Fibril formation simulations using discontinuous molecular dynamics

Neurobiology of Aging, 25, S171.

By: C. Hall* & H. Nguyen

Sources: Crossref, ORCID
Added: January 5, 2021

2004 journal article

Phase behavior in model homopolymer/CO2 and surfactant/CO2 systems: Discontinuous molecular dynamics simulations

LANGMUIR, 20(20), 8559–8568.

By: Z. Li n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Phase diagrams describing fibrillization by polyalanine peptides

BIOPHYSICAL JOURNAL, 87(6), 4122–4134.

By: H. Nguyen n & C. Hall n

co-author countries: United States of America 🇺🇸
MeSH headings : Amyloid / chemistry; Binding Sites; Computer Simulation; Dimerization; Models, Chemical; Models, Molecular; Multiprotein Complexes / chemistry; Peptides / chemistry; Phase Transition; Protein Binding; Protein Conformation; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

Solvent effects on the conformational transition of a model polyalanine peptide

Protein Science, 13(11), 2909–2924.

By: H. Nguyen n, A. Marchut n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: polyalanine; alpha-beta transition; secondary structures; solvent conditions; discontinuous molecular dynamics
MeSH headings : Hydrogen Bonding / drug effects; Models, Molecular; Peptides / chemistry; Protein Structure, Secondary / drug effects; Solvents / pharmacology; Temperature
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2004 journal article

Thermodynamics and stability of a beta-sheet complex: Molecular dynamics simulations on simplified off-lattice protein models

PROTEIN SCIENCE, 13(1), 40–53.

By: H. Jang n, C. Hall n & Y. Zhou*

co-author countries: United States of America 🇺🇸
author keywords: fibril; amyloid; discontinuous molecular dynamics; Go-type potential; beta-sheet complex; bias gap; intermolecular contact parameter
MeSH headings : Computer Simulation; Kinetics; Models, Molecular; Models, Statistical; Protein Folding; Protein Structure, Secondary; Proteins / chemistry; Software; Temperature; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Dynamic phase transitions in thin ferromagnetic films

PHYSICAL REVIEW B, 67(9).

By: H. Jang n, M. Grimson* & C. Hall n

co-author countries: New Zealand 🇳🇿 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Effects of composition and matrix polarity on network development in organogels of poly(ethylene glycol) and dibenzylidene sorbitol

LANGMUIR, 19(15), 6004–6013.

By: E. Wilder n, C. Hall n, S. Khan n & R. Spontak n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Exchange anisotropy and the dynamic phase transition in thin ferromagnetic Heisenberg films

PHYSICAL REVIEW E, 68(4).

By: H. Jang*, M. Grimson* & C. Hall n

co-author countries: New Zealand 🇳🇿 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Formation of Spherical Micelles in a supercritical Solvent: Lattice Monte Carlo simulation and multicomponent solution model

MOLECULAR SIMULATION, 29(2), 139–157.

By: M. Lisal n, C. Hall n, K. Gubbins n & A. Panagiotopoulos*

co-author countries: United States of America 🇺🇸
author keywords: lattice model of supercritical solvent-surfactant systems; multicomponent solution model; spherical micelles; thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Global phase diagram for monomer/dimer mixtures

FLUID PHASE EQUILIBRIA, 204(1), 85–106.

By: B. Attwood n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: equation of state; global phase diagram; phase equilibria
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Nanofibrillar networks in poly(ethyl methacrylate) and its silica nanocomposites

JOURNAL OF PHYSICAL CHEMISTRY B, 107(42), 11633–11642.

By: E. Wilder n, M. Braunfeld n, H. Jinnai n, C. Hall n, D. Agard n & R. Spontak n

co-author countries: Japan 🇯🇵 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

Physical organogels composed of amphiphilic block copolymers and 1,3 : 2,4-dibenzylidene-D-sorbitol

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 267(2), 509–518.

By: E. Wilder n, C. Hall n & R. Spontak n

co-author countries: United States of America 🇺🇸
MeSH headings : Carbohydrate Conformation; Gels / chemical synthesis; Gels / chemistry; Hydrogen Bonding; Polyethylene Glycols / chemistry; Polymers / chemistry; Pressure; Propylene Glycols / chemistry; Sorbitol / analogs & derivatives; Sorbitol / chemistry; Surface Properties; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2003 journal article

The molecular structure and intermolecular interactions of 1,3: 2,4-dibenzylidene-D-sorbitol

Molecular Physics, 101(19), 3017–3027.

By: E. Wilder, R. Spontak & C. Hall

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2003 journal article

The molecular structure and intermolecular interactions of 1,3:2,4-dibenzylidene-D-sorbitol

Molecular Physics, 101(19), 3017–3027.

By: E. Wilder, R. Spontak n & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: September 6, 2020

2002 journal article

Computer simulation of copolymer phase behavior

JOURNAL OF CHEMICAL PHYSICS, 117(22), 10329–10338.

By: A. Schultz n, C. Hall n & J. Genzer n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Effect of rate of chemical or thermal renaturation on refolding and aggregation of a simple lattice protein

BIOTECHNOLOGY AND BIOENGINEERING, 80(7), 823–834.

By: H. Nguyen n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: protein folding; protein aggregation; renaturation; Monte Carlo; computer simulation
MeSH headings : Computer Simulation; Macromolecular Substances; Models, Chemical; Models, Molecular; Monte Carlo Method; Protein Conformation; Protein Folding; Protein Renaturation; Proteins / chemistry; Sensitivity and Specificity; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Entanglement relaxation and release in hard chain fluids during molecular dynamics simulations

MACROMOLECULES, 35(15), 6005–6019.

By: J. McCormick n, C. Hall n & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 article

Equilibria between solid, liquid, and vapor phases in binary Lennard-Jones mixtures

Lamm, M. H., & Hall, C. K. (2002, March 30). FLUID PHASE EQUILIBRIA, Vol. 194, pp. 197–206.

By: M. Lamm n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: molecular simulation; phase equilibria; solid-fluid equilibria; Lennard-Jones potential
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Folding thermodynamics of model four-strand antiparallel beta-sheet proteins

BIOPHYSICAL JOURNAL, 82(2), 646–659.

By: H. Jang n, C. Hall n & Y. Zhou*

co-author countries: United States of America 🇺🇸
MeSH headings : Biophysical Phenomena; Biophysics; Models, Statistical; Models, Theoretical; Protein Conformation; Protein Denaturation; Protein Folding; Protein Structure, Secondary; Temperature; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Micellar behavior in supercritical solvent-surfactant systems from lattice Monte Carlo simulations

Fluid Phase Equilibria, 194(2002 Mar 30), 233–247.

By: M. Lisal n, C. Hall n, K. Gubbins n & A. Panagiotopoulos*

co-author countries: United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2002 journal article

Molecular Self-Organization and Gelation of Dibenzylidene Sorbital: An Overview

Recent Research Developments in Materials Science, 3, 93.

By: E. Wilder, C. Hall, S. Khan & R. Spontak

Source: NC State University Libraries
Added: June 8, 2019

2002 article

Phase behavior of PVAC-PTAN block copolymer in supercritical carbon dioxide using SAFT

Colina, C. M., Hall, C. K., & Gubbins, K. E. (2002, March 30). FLUID PHASE EQUILIBRIA, Vol. 194, pp. 553–565.

By: C. Colina n, C. Hall n & K. Gubbins n

co-author countries: United States of America 🇺🇸
author keywords: copolymer; cloud curves; critical micellar concentration; model; equation of state; SAFT
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Protein folding pathways and kinetics: Molecular dynamics simulations of beta-strand motifs

BIOPHYSICAL JOURNAL, 83(2), 819–835.

By: H. Jang n, C. Hall n & Y. Zhou*

co-author countries: United States of America 🇺🇸
MeSH headings : Amino Acid Motifs; Biophysical Phenomena; Biophysics; Kinetics; Models, Molecular; Models, Statistical; Protein Binding; Protein Folding; Protein Structure, Secondary; Protein Structure, Tertiary; Proteins / chemistry; Software; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations

JOURNAL OF CHEMICAL PHYSICS, 116(3), 1171–1184.

By: M. Lisal n, C. Hall n, K. Gubbins n & A. Panagiotopoulos*

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

The effect of position along the chain on the dynamic properties of hard chain segments

JOURNAL OF CHEMICAL PHYSICS, 117(2), 944–957.

By: J. McCormick n, C. Hall n & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2001 journal article

Assembly of a tetrameric α-Helical bundle: Computer simulations on an intermediate-resolution protein model

Proteins: Structure, Function, and Genetics, 44(3), 376–391.

By: A. Marchut, A. Smith n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: discontinuous molecular dynamics; protein folding; protein misfolding
MeSH headings : Amino Acids / chemistry; Computer Simulation; Energy Transfer; Hydrogen Bonding; Models, Molecular; Peptides / chemistry; Polymers / chemistry; Protein Folding; Protein Structure, Secondary
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2001 conference paper

Complete Phase Diagrams for Binary Mixtures Via Gibbs Duhem Integration

In P. T. Cummings & P. R. Westmoreland (Eds.), Foundations of Molecular Modeling and Simulation: proceedings of the First International Conference on Molecular Modeling and Simulation, Keystone, Colorado, July 23-28, 2000 (p. 195). New York: American Institute of Chemical Engineers.

By: M. Hitchcock & C. Hall

Ed(s): P. Cummings & P. Westmoreland

Event: First International Conference on Molecular Modeling and Simulation at Keystone, Colorado on July 23-28, 2000

Source: NC State University Libraries
Added: January 9, 2021

2001 journal article

Molecular simulation of complete phase diagrams for binary mixtures

AICHE JOURNAL, 47(7), 1664–1675.

By: M. Lamm n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2001 article

Monte Carlo simulations of complete phase diagrams for binary Lennard-Jones mixtures

Lamm, M. H., & Hall, C. K. (2001, June 5). FLUID PHASE EQUILIBRIA, Vol. 182, pp. 37–46.

By: M. Lamm n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: molecular simulation; liquid-liquid equilibria; solid-fluid equilibria; Lennard-Jones
Sources: Web Of Science, ORCID
Added: August 6, 2018

2001 journal article

Propane and propylene sorption in solid polymer electrolytes based on poly(ethylene oxide) and silver salts

JOURNAL OF MEMBRANE SCIENCE, 182(1-2), 1–12.

By: S. Sunderrajan n, B. Freeman n, C. Hall n & I. Pinnau*

co-author countries: United States of America 🇺🇸
author keywords: olefin/paraffin separation; solid polymer electrolyte; poly(ethylene oxide); facilitated transport
Sources: Web Of Science, ORCID
Added: August 6, 2018

2001 journal article

Protein refolding versus aggregation: Computer simulations on an intermediate-resolution protein model

JOURNAL OF MOLECULAR BIOLOGY, 312(1), 187–202.

By: A. Smith n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: discontinuous molecular dynamics; protein folding; protein misfolding; aggregation; four-helix bundle
MeSH headings : Amino Acid Sequence; Computer Simulation; Dimerization; Hydrogen Bonding; Models, Molecular; Molecular Sequence Data; Peptides / chemistry; Protein Conformation; Protein Folding
Sources: Web Of Science, ORCID
Added: August 6, 2018

2001 review

alpha-helix formation: Discontinuous molecular dynamics on an intermediate-resolution protein model

[Review of ]. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 44(3), 344–360.

By: A. Smith n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: helix-coil transition; computer simulation; four-bead protein model
MeSH headings : Alanine / chemistry; Computer Simulation; Energy Metabolism; Hydrogen Bonding; Models, Molecular; Peptides / chemistry; Protein Folding; Protein Structure, Secondary; Temperature
Sources: Web Of Science, ORCID
Added: August 6, 2018

2000 journal article

Bridging the gap between homopolymer and protein models: A discontinuous molecular dynamics study

Journal of Chemical Physics, 113(20), 9331–9342.

By: A. Smith n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2000 journal article

Theory and simulation of the swelling of polymer gels

JOURNAL OF CHEMICAL PHYSICS, 113(1), 404–418.

By: N. Kenkare n, C. Hall n & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1999 article

Computer simulation of the competition between protein folding and aggregation

Gupta, P., Hall, C. K., & Voegler, A. (1999, June). FLUID PHASE EQUILIBRIA, Vol. 158, pp. 87–93.

By: P. Gupta n, C. Hall n & A. Voegler n

co-author countries: United States of America 🇺🇸
author keywords: protein folding; protein aggregation; folding pathways; folding intermediates; computer simulation
Sources: Web Of Science, ORCID
Added: August 6, 2018

1999 journal article

Fourier transform infrared spectroscopic characterization of olefin complexation by silver salts in solution

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 38(10), 4051–4059.

By: S. Sunderrajan n, B. Freeman n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1999 journal article

Grafted polymer tail loop mixtures differing in chain length

POLYMER, 40(18), 5207–5211.

By: D. Driscoll n, H. Gulati n, R. Spontak n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: grafted polymer chains; brushes; polymer thin films
Sources: Web Of Science, ORCID
Added: August 6, 2018

1999 journal article

Pressure-volume properties of endlinked hard-chain polymer networks

JOURNAL OF CHEMICAL PHYSICS, 110(15), 7556–7573.

By: N. Kenkare n, C. Hall n & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1999 journal article

Solid-liquid phase equilibrium for binary Lennard-Jones mixtures

JOURNAL OF CHEMICAL PHYSICS, 110(23), 11433–11444.

By: M. Hitchcock n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1999 journal article

The calorimetric criterion for a two-state process revisited

PROTEIN SCIENCE, 8(5), 1064–1074.

By: Y. Zhou*, C. Hall n & M. Karplus*

co-author countries: France 🇫🇷 United States of America 🇺🇸
author keywords: calorimetric criterion; free-energy barrier; protein folding; simple models; two-state transition
MeSH headings : Calorimetry; Models, Molecular; Models, Statistical; Protein Folding; Temperature; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

1998 journal article

Discontinuous molecular dynamics studies of end-linked polymer networks

MACROMOLECULES, 31(17), 5861–5879.

By: N. Kenkare n, S. Smith n, C. Hall n & S. Khan n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1998 journal article

Effect of denaturant and protein concentrations upon protein refolding and aggregation: A simple lattice model

PROTEIN SCIENCE, 7(12), 2642–2652.

By: P. Gupta n, C. Hall n & A. Voegler n

co-author countries: United States of America 🇺🇸
author keywords: computer simulation; folding intermediates; folding pathways; protein aggregation; protein folding
MeSH headings : Models, Chemical; Models, Molecular; Monte Carlo Method; Protein Denaturation; Protein Folding; Proteins / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

1998 journal article

Generalized Flory equations of state for copolymers modeled as square-well chain fluids

JOURNAL OF CHEMICAL PHYSICS, 108(17), 7478–7492.

By: H. Gulati n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1998 journal article

Mixtures of polymer tails and loops grafted to an impenetrable interface

POLYMER, 39(25), 6339–6346.

By: D. Driscoll n, H. Gulati n, R. Spontak n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: bond-fluctuation model; grafted polymers; brushes
Sources: Web Of Science, ORCID
Added: August 6, 2018

1998 chapter

Self Diffusion Coefficients and Atomic Mean-Squared Displacements in Entangled Hard Chain Fluids

In Numerical Methods for Polymeric Systems (pp. 203–215).

By: S. Smith n, C. Hall n, B. Freeman n & J. McCormick n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 13, 2019

1997 journal article

Chemical potential gradient driven permeation of small molecules through polymeric media

The Journal of Chemical Physics, 107(24), 10714–10722.

By: S. Sunderrajan n, C. Hall n & B. Freeman n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID, Web Of Science
Added: August 6, 2018

1997 conference paper

Conformational and dynamic properties of polymer loops and their mixtures at an impenetrable interface

In D. Wirtz & T. C. Halsey (Eds.), Statistical mechanics in physics and biology: Symposium held December 2-5, 1996, Boston, Massachusetts, U.S.A, 1997 (Materials Research Society symposia proceedings) (Vol. 463, pp. 109–114).

By: H. Gulati n, R. Jones n, D. Driscoll n, R. Spontak n & C. Hall n

co-author countries: United States of America 🇺🇸

Ed(s): . D. Wirtz & T. Halsey

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

1997 journal article

Effect of solvent conditions upon refolding pathways and intermediates for a simple lattice protein

BIOPOLYMERS, 42(4), 399–409.

By: P. Gupta n & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: protein folding; folding pathways; folding intermediates; computer simulation; solvent effects
Sources: Web Of Science, ORCID
Added: August 6, 2018

1997 review

Equilibrium thermodynamics of homopolymers and clusters: Molecular dynamics and Monte Carlo simulations of systems with square-well interactions

[Review of ]. JOURNAL OF CHEMICAL PHYSICS, 107(24), 10691–10708.

By: Y. Zhou*, M. Karplus*, J. Wichert n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1997 journal article

Fluids and fluid mixtures containing square-well diatomics: Equations of state and canonical molecular dynamics simulation

JOURNAL OF CHEMICAL PHYSICS, 107(10), 3930–3946.

By: H. Gulati n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1997 journal article

Molecular dynamics for polymeric fluids using discontinuous potentials

JOURNAL OF COMPUTATIONAL PHYSICS, 134(1), 16–30.

By: S. Smith n, C. Hall n & B. Freeman n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1997 journal article

Pressure-dependent photon correlation spectroscopic investigation of poly(propylene oxide) near the glass transition

MACROMOLECULES, 30(7), 2052–2057.

By: S. Smith n, B. Freeman n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1997 journal article

Sorption isotherms for spherical penetrants in facilitating polymeric media using Monte Carlo simulations

MOLECULAR PHYSICS, 92(1), 109–116.

By: S. Sunderrajan n, C. Hall n & B. Freeman*

co-author countries: Bulgaria 🇧🇬 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1996 journal article

Binary hard chain mixtures. I. Generalized Flory equations of state

The Journal of Chemical Physics, 105(17), 7669–7682.

By: J. Wichert n, H. Gulati n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Computer simulation study of the approximations associated with the generalized Flory theories

The Journal of Chemical Physics, 104(22), 9100–9110.

By: S. Kumar*, I. Szleifer*, C. Hall n & J. Wichert n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 13, 2019

1996 journal article

Corrections for analytical gas-permeation models for separation of binary gas mixtures using membrane modules

Journal of Membrane Science, 118(2), 289–294.

By: S. Smith n, C. Hall n, B. Freeman n & R. Rautenbach*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
author keywords: fiber membranes; gas separation; membrane modeling
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Equilibrium conformations and dynamic relaxation of double‐tethered chain molecules at an impenetrable interface

The Journal of Chemical Physics, 105(17), 7712–7722.

By: H. Gulati n, C. Hall n, R. Jones n & R. Spontak n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Estimation of mutual diffusion coefficients in polymer/penetrant systems using nonequilibrium molecular dynamics simulations

The Journal of Chemical Physics, 105(4), 1621–1632.

By: S. Sunderrajan n, C. Hall n & B. Freeman n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

First-Order Disorder-to-Order Transition in an Isolated Homopolymer Model

Physical Review Letters, 77(13), 2822–2825.

By: Y. Zhou*, C. Hall n & M. Karplus*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Generalized Flory equations of state for hard heteronuclear chain molecules

The Journal of Chemical Physics, 104(13), 5220–5233.

By: H. Gulati n, J. Wichert n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 13, 2019

1996 journal article

Modeling of phase separation in PEG–salt aqueous two-phase systems

AIChE Journal, 42(12), 3508–3522.

By: P. Kenkare n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1996 journal article

Molecular dynamics study of entangled hard‐chain fluids

The Journal of Chemical Physics, 104(14), 5616–5637.

By: S. Smith n, C. Hall n & B. Freeman n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 13, 2019

1996 journal article

Reply to Comment on Molecular Dynamics Study of Entangled Hard Chain Fluids

Physical Review Letters, 76, 4449.

By: S. Smith, C. Hall & B. Freeman

Source: NC State University Libraries
Added: June 8, 2019

1996 journal article

Solute Excluded Volume Effects on the Stability of Globular Proteins: A Statistical Thermodynamic Theory

Biopolymers, 38(2), 273–284.

By: Y. Zhou & C. Hall

Source: NC State University Libraries
Added: June 8, 2019

1996 journal article

The Effects of Salts on the Lower Consolute Boundary of a Nonionic Micellar Solution

Journal of Colloid and Interface Science, 184(2), 456–468.

By: P. Kenkare n, C. Hall n & P. Kilpatrick n

co-author countries: United States of America 🇺🇸
author keywords: micelles; phase separation; salting-in; salting-out; intermicellar potential; cloud point temperature; lower consolute boundary
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Computer simulation of protein refolding pathways and intermediates

AIChE Journal, 41(4), 985–990.

By: P. Gupta n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Exact results for isolated sticky chains

Molecular Physics, 86(6), 1485–1492.

By: Y. Zhou n, C. Hall n & G. Stell*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Fused hard‐sphere chain molecules: Comparison between Monte Carlo simulation for the bulk pressure and generalized Flory theories

The Journal of Chemical Physics, 102(15), 6212–6223.

By: L. Costa n, Y. Zhou n, C. Hall n & S. Carrà*

co-author countries: Italy 🇮🇹 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Large-Scale Molecular Dynamics Study of Entangled Hard-Chain Fluids

Physical Review Letters, 75(7), 1316–1319.

By: S. Smith n, C. Hall n & B. Freeman n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Linear dependence on chain length for the thermodynamic properties of tangent hard-sphere chains

Molecular Physics, 86(5), 1157–1172.

By: Y. Zhou n, S. Smith n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Molecular dynamics study of transport coefficients for hard‐chain fluids

The Journal of Chemical Physics, 102(2), 1057–1073.

By: S. Smith n, C. Hall n & B. Freeman n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Phase instabilities in charged hard‐sphere mixtures. I. Binary mixtures of salt and hard spheres

The Journal of Chemical Physics, 103(18), 8098–8110.

By: P. Kenkare n, C. Hall n & C. Caccamo*

co-author countries: Italy 🇮🇹 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Phase instabilities in charged hard‐sphere mixtures. II. Binary mixtures of salts

The Journal of Chemical Physics, 103(18), 8111–8123.

By: P. Kenkare n, C. Hall n & C. Caccamo*

co-author countries: Italy 🇮🇹 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1995 journal article

Thermodynamic perturbation theory for fused hard‐sphere and hard‐disk chain fluids

The Journal of Chemical Physics, 103(7), 2688–2695.

By: Y. Zhou n, C. Hall n & G. Stell*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1994 journal article

Application of a Modified Generalized Flory Dimer Theory to Normal Alkanes

Industrial & Engineering Chemistry Research, 33(5), 1290–1298.

By: C. Bokis, M. Donohue & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1994 journal article

Generalized flory equation of state for hard chain—hard monomer mixtures of unequal segment diameter

Chemical Engineering Science, 49(17), 2793–2804.

By: J. Wichert n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1994 journal article

Monte Carlo Simulation of Off-Lattice Polymer Chains: Effective Pair Potentials in Dilute Solution

Macromolecules, 27(19), 5399–5412.

By: J. Dautenhahn & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1994 journal article

Second Virial Coefficient Calculations for Square-Well Chain Molecules

Macromolecules, 27(10), 2744–2756.

By: J. Wichert & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1994 journal article

Second virial coefficients for chain molecules

Industrial & Engineering Chemistry Research, 33(1), 146–150.

By: C. Bokis, M. Donohue & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1994 journal article

Structural properties of mixtures of highly asymmetrical electrolytes and uncharged particles using the hypernetted chain approximation

The Journal of Chemical Physics, 100(10), 7553–7566.

By: D. Forciniti* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1993 journal article

Equations of state for square well chain fluids using the generalized flory approach

Fluid Phase Equilibria, 83, 313–322.

By: C. Hall n, A. Yethiraj* & J. Wichert n

co-author countries: United States of America 🇺🇸
author keywords: THEORY; EQUATION OF STATE; CHAIN FLUIDS
Sources: Crossref, ORCID
Added: April 20, 2019

1993 journal article

On equations of state for hard chain fluids

Molecular Physics, 80(2), 469–477.

By: A. Yethiraj* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Electrostatic effects on protein partitioning: simultaneous effect of pH and polymer molecular weight

Chemical Engineering Science, 47(1), 165–175.

By: D. Forciniti n, C. Hall n & M. Kula*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Experimental analysis of protein precipitation by polyethylene glycol and comparison with theory

Fluid Phase Equilibria, 78, 297–321.

By: H. Mahadevan n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Interaction between colloids in solutions containing dissolved polymer

Journal of Colloid and Interface Science, 151(1), 102–117.

By: A. Yethiraj n, C. Hall n & R. Dickman*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Local composition model for square-well chains using the generalized Flory dimer theory

The Journal of Physical Chemistry, 96(26), 11004–11009.

By: C. Bokis, M. Donohue & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Monte Carlo calculation of the osmotic second virial coefficient of off-lattice athermal polymers

Macromolecules, 25(15), 3979–3983.

By: A. Yethiraj, K. Honnell & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Monte Carlo simulations and integral equation theory for microscopic correlations in polymeric fluids

The Journal of Chemical Physics, 96(1), 797–807.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1992 journal article

Theory of precipitation of protein mixtures by nonionic polymer

AIChE Journal, 38(4), 573–591.

By: H. Mahadevan n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Analysis of polymer molecular weight distributions in aqueous two-phase systems

Journal of Biotechnology, 20(2), 151–161.

By: D. Forciniti n, C. Hall n & M. Kula*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
author keywords: DEXTRAN POLYETHYLENEGLYCOL WATER SYSTEMS; MOLECULAR WEIGHT DISTRIBUTION
MeSH headings : Dextrans / chemistry; Molecular Weight; Polyethylene Glycols / chemistry; Solubility
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Behavior of starlike polymers between walls

Macromolecules, 24(3), 709–713.

By: A. Yethiraj & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Diffusion in zeolites: effect of directional bias

Chemical Engineering Science, 46(9), 2359–2362.

By: D. Faux n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Equations of state for star polymers

The Journal of Chemical Physics, 94(5), 3943–3948.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Generalized Flory equations of state for square‐well chains

The Journal of Chemical Physics, 95(11), 8494–8506.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Influence of polymer molecular weight and temperature on phase composition in aqueous two-phase systems

Fluid Phase Equilibria, 61(3), 243–262.

By: D. Forciniti n, C. Hall n & M. Kula*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Integral equation theory for the adsorption of chain fluids in slitlike pores

The Journal of Chemical Physics, 95(5), 3749–3755.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Monte Carlo simulation of the equilibrium partitioning of chain fluids between a bulk and a pore

Molecular Physics, 73(3), 503–515.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Prediction of gas adsorption in 5a zeolites using Monte Carlo simulation

AIChE Journal, 37(5), 769–779.

By: D. Razmus n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Protein partitioning at the isoelectric point: Influence of polymer molecular weight and concentration and protein size

Biotechnology and Bioengineering, 38(9), 986–994.

By: D. Forciniti n, C. Hall n & M. Kula*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
author keywords: PROTEIN PARTITIONING; POLYETHYLENEGLYCOL DEXTRAN SYSTEMS; ISOELECTRIC POINT; POLYMER MOLECULAR WEIGHT
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Simple models for interactions of linear polymers in dilute solutions

Macromolecules, 24(7), 1535–1548.

By: R. Czech & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Square-well diatomics: Bulk equation of state, density profiles near walls, virial coefficients and coexistence properties

Molecular Physics, 72(3), 619–641.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1991 journal article

Square‐well chains: Bulk equation of state using perturbation theory and Monte Carlo simulations of the bulk pressure and of the density profiles near walls

The Journal of Chemical Physics, 95(3), 1999–2005.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 13, 2019

1991 journal article

Temperature Dependence of the Partition Coefficient of Proteins in Aqueous Two-Phase Systems

Bioseparations, 2(2), 115–128.

By: D. Forciniti, C. Hall & M. Kula

Source: NC State University Libraries
Added: June 8, 2019

1991 journal article

Theory and simulation of hard‐chain mixtures: Equations of state, mixing properties, and density profiles near hard walls

The Journal of Chemical Physics, 95(6), 4481–4501.

By: K. Honnell* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

A New Monte Carlo Simulation Technique for the Study of Epitaxial Crystal Growth

Molecular Simulation, 4(6), 361–369.

By: D. Faux, C. Hall* & J. Bernholc n

co-author countries: United States of America 🇺🇸
author keywords: Monte Carlo simulation; mismatched interfaces; crystal growth; two-dimensional systems
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Computer simulation studies of the growth of strained layers by molecular-beam epitaxy

Physical Review B, 42(5), 2914–2922.

By: D. Faux*, G. Gaynor n, C. Carson n, C. Hall n & J. Bernholc n

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Efficient techniques for computer simulations of heteroepitaxial growth

Applied Physics Letters, 56(20), 1971–1973.

By: C. Carson n, J. Bernholc n, D. Faux n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Exact equations of state for one-dimensional chain fluids

Journal of Statistical Physics, 61(3-4), 803–842.

By: K. Honnell* & C. Hall n

co-author countries: United States of America 🇺🇸
author keywords: CHAIN MOLECULE; EQUATION OF STATE; ONE DIMENSION; ISOTHERMAL; ISOBARIC ENSEMBLE
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Interfacial tension of polyethyleneglycol-dextran-water systems: influence of temperature and polymer molecular weight

Journal of Biotechnology, 16(3-4), 279–296.

By: D. Forciniti n, C. Hall n & M. Kula*

co-author countries: Germany 🇩🇪 United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Local structure of fluids containing chain‐like molecules: Polymer reference interaction site model with a Yukawa closure

The Journal of Chemical Physics, 93(7), 5315–5321.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Molecular-dynamics simulation results for the pressure of hard-chain fluids

Molecular Physics, 71(3), 541–559.

By: M. Denlinger n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Monte-Carlo simulation of polymers confined between flat plates

Macromolecules, 23(6), 1865–1872.

By: A. Yethiraj & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Niobium hydride phase behavior studied using the cluster-variation method

Physical Review B, 42(10), 6590–6611.

By: C. Soteros* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Site–site correlations in short chain fluids

The Journal of Chemical Physics, 93(6), 4453–4461.

By: A. Yethiraj n, C. Hall n & K. Honnell*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 journal article

Statistical-mechanical model of protein precipitation by nonionic polymer

AIChE Journal, 36(10), 1517–1528.

By: H. Mahadevan n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1990 chapter

Theoretical Treatment of Aqueous Two-Phase Extraction by Using Virial Expansions

In ACS Symposium Series (pp. 53–70).

By: D. Forciniti n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1989 journal article

A NEW EQUATION OF STATE FOR ATHERMAL CHAINS

JOURNAL OF CHEMICAL PHYSICS, 90(3), 1841–1855.

By: K. Honnell* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1989 journal article

Generalized flory theories for predicting properties of fluids containing long chain molecules

Fluid Phase Equilibria, 53, 151–158.

By: C. Hall n, M. Denlinger n & K. Honnell*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1989 journal article

Monte Carlo simulation of hard chain–hard sphere mixtures in slitlike pores

The Journal of Chemical Physics, 91(8), 4827–4837.

By: A. Yethiraj n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1989 journal article

Nuclear Spin Relaxation due to Hydrogen Diffusion in b.c.c. Metals*

Zeitschrift Für Physikalische Chemie, 164(Part_1), 859–864.

By: D. Faux & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1989 journal article

Nuclear spin relaxation due to the translational diffusion of hydrogen in BCC metals

Journal of Physics: Condensed Matter, 1(49), 9919–9930.

By: D. Faux* & C. Hall*

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧
Sources: Crossref, ORCID
Added: April 20, 2019

1988 journal article

HIGH-DENSITY MONTE-CARLO SIMULATIONS OF CHAIN MOLECULES - BULK EQUATION OF STATE AND DENSITY PROFILE NEAR WALLS

JOURNAL OF CHEMICAL PHYSICS, 89(5), 3168–3174.

By: R. Dickman* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1988 journal article

Monte Carlo simulation of two-dimensional dimers between hard walls

Molecular Physics, 65(6), 1281–1300.

By: K. Honnell* & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1988 journal article

Self-consistent field model of polymer adsorption: generalized formulation and ground-state solution

Macromolecules, 21(4), 1075–1085.

By: H. Ploehn, W. Russel & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1988 journal article

The effect of nearest-neighbour interactions between hopping spins on nuclear spin relaxation in solids

Journal of Physics C: Solid State Physics, 21(21), 3967–3981.

By: D. Faux n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1987 journal article

Cluster-variation calculation for random-field systems: Application to hydrogen in niobium alloys

Physical Review B, 35(7), 3545–3554.

By: I. MacGillivray n, C. Soteros n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1987 journal article

On the pressure equation for chain molecules

The Journal of Chemical Physics, 87(1), 664–674.

By: K. Honnell*, C. Hall n & R. Dickman n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1987 journal article

Ordered phases in niobium hydride: Predictions using lattice-gas models

Journal of the Less Common Metals, 130, 319–327.

By: C. Hall n, C. Soteros n, I. Macgillivray n & A. Shirley*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 journal article

An experimental and theoretical study of phase transitions in the polystyrene latex and hydroxyethylcellulose system

Journal of Colloid and Interface Science, 109(1), 161–171.

By: A. Gast*, W. Russel* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 journal article

EQUATION OF STATE FOR CHAIN MOLECULES - CONTINUOUS-SPACE ANALOG OF FLORY THEORY

JOURNAL OF CHEMICAL PHYSICS, 85(7), 4108–4115.

By: R. Dickman n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

1986 journal article

Elastic interactions between hydrogen atoms in metals. I. Lattice forces and displacements

Physical Review B, 33(12), 8084–8098.

By: A. Shirley* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 journal article

Elastic interactions between hydrogen atoms in metals. II. Elastic interaction energies

Physical Review B, 33(12), 8099–8109.

By: A. Shirley* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 journal article

Equation of state for athermal lattice chains

The Journal of Chemical Physics, 85(5), 3023–3026.

By: R. Dickman n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 chapter

Local Structure of Fluids Containing Short-Chain Molecules via Monte Carlo Simulation

In Equations of State (pp. 201–213).

By: K. Honnell n & C. Hall n

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 journal article

Mathematical modelling of diffusion and reaction in blocked zeolite catalysts

Chemical Engineering Science, 41(6), 1631–1645.

By: S. Sundaresan* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1986 journal article

Theory of the order–disorder transition in hydrogen–niobium systems

The Journal of Chemical Physics, 85(3), 1539–1544.

By: M. Futran* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1985 journal article

Second virial coefficient as a corresponding states temperature variable for pure fluids: a universal saturation curve

Industrial & Engineering Chemistry Fundamentals, 24(2), 262–265.

By: B. Hacker & C. Hall*

Sources: Crossref, ORCID
Added: April 20, 2019

1984 journal article

Hydrogen in Niobium-Molybdenum Alloys: A Realistic Example of a Random-Field Ising Model

Physical Review Letters, 53(13), 1236–1239.

By: C. Hall*, A. Shirley* & P. Sahni*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1984 journal article

Ordered structures in hydrogen–niobium systems: Ground states analysis

The Journal of Chemical Physics, 80(1), 383–392.

By: M. Futran* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1984 journal article

Theory of the phase‐change behavior of hydrogen in metals containing metallic impurities: The hydrogen–niobium–molybdenum system

The Journal of Chemical Physics, 81(9), 4053–4064.

By: A. Shirley*, C. Hall*, P. Sahni* & N. King*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1984 journal article

Trapping of hydrogen by metallic substitutional impurities in niobium, vanadium, and tantalum

Acta Metallurgica, 32(1), 49–56.

By: A. Shirley* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1983 chapter

A Review of the Statistical Theory of the Phase-Change Behavior of Hydrogen in Metals

In Electronic Structure and Properties of Hydrogen in Metals (pp. 11–24).

By: C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1983 chapter

Corresponding States Theories for Chain Molecules

In M. E. Paulaitis, J. M. L. Penninger, R. D. Gray Jr., & P. Davidson (Eds.), Chemical Engineering at Supercritical Fluid Conditions (pp. 359–374). Ann Arbor Science Publishers.

By: C. Hall & B. Hacker

Ed(s): M. Paulaitis, J. Penninger, R. Gray & P. Davidson

Source: NC State University Libraries
Added: June 8, 2019

1983 journal article

Phase separations induced in aqueous colloidal suspensions by dissolved polymer

Faraday Discussions of the Chemical Society, 76, 189.

By: A. Gast, C. Hall* & W. Russel

Sources: Crossref, ORCID
Added: April 20, 2019

1983 journal article

Polymer-induced phase separations in nonaqueous colloidal suspensions

Journal of Colloid and Interface Science, 96(1), 251–267.

By: A. Gast*, C. Hall* & W. Russel*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1983 journal article

Trapping of hydrogen by oxygen and nitrogen impurities in niobium, vanadium and tantalum

Acta Metallurgica, 31(7), 985–992.

By: A. Shirley*, C. Hall* & N. Prince*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1983 journal article

Trapping of hydrogen by substitutional and interstitial impurities in α-iron

Scripta Metallurgica, 17(8), 1003–1008.

By: A. Shirley* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1982 journal article

Conformational state relaxation in polymers: Time‐correlation functions

The Journal of Chemical Physics, 77(6), 3275–3282.

By: C. Hall* & E. Helfand

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1982 journal article

The phase‐change behavior of hydrogen in niobium and in niobium–vanadium alloys

The Journal of Chemical Physics, 77(12), 6223–6235.

By: M. Futran*, S. Coats*, C. Hall* & D. Welch*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1980 conference paper

Application of Polymer Scaling Theories to Fluids of Chain Molecules

Proceedings of the Second International Symposium on Phase Equilibria and Fluid Properties in the Process Industries. Presented at the The Second International Symposium on Phase Equilibria and Fluid Properties in the Process Industries, West Berlin.

By: C. Hall

Event: The Second International Symposium on Phase Equilibria and Fluid Properties in the Process Industries at West Berlin on March 17-20, 1980

Source: NC State University Libraries
Added: June 8, 2019

1980 journal article

Polymer scaling theories for general interaction potentials

The Journal of Chemical Physics, 73(3), 1446–1451.

By: C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1980 journal article

Scaling theories for polymers with general interactions

Ferroelectrics, 30(1), 19–24.

By: C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1980 journal article

Statistical theory of the phase change behavior of metal-hydrogen systems

Journal of the Less Common Metals, 74(2), 237–242.

By: C. Hall* & M. Futran*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1977 report

A Dynamic Multi-Product Market Model

[Proprietary Memorandum for File]. Bell Telephone Laboratories.

By: C. Hall

Source: NC State University Libraries
Added: June 8, 2019

1976 journal article

Isostructural phase transitions due to core collapse. I. A one‐dimensional model

The Journal of Chemical Physics, 65(6), 2161–2171.

By: J. Kincaid*, G. Stell* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1975 conference paper

Basic Laboratory Skills Course for Women Engineers

Proceedings of Women in Engineering: Beyond Recruitment. Presented at the Women in Engineering: Beyond Recruitment.

By: T. Hall & C. Hall

Event: Women in Engineering: Beyond Recruitment

Source: NC State University Libraries
Added: June 8, 2019

1975 journal article

Decorated-lattice model of metamagnetic or host-impurity systems

Physical Review B, 11(1), 224–238.

By: C. Hall* & G. Stell*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1975 journal article

Scaling in the ideal Bose gas

Journal of Statistical Physics, 13(2), 157–172.

By: C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1974 journal article

A lattice model of gas-gas equilibria in binary mixtures

Physica, 78(1), 1–21.

By: J. Bartis* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1973 journal article

Phase Transitions in Two-Dimensional Lattice Gases of Hard-Core Molecules with Long-Range Attractions

Physical Review A, 7(5), 1679–1689.

By: C. Hall* & G. Stell*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

1972 journal article

Simple Lattice Gas with Realistic Phase Changes

Physical Review Letters, 28(5), 292–294.

By: G. Stell*, H. Narang* & C. Hall*

co-author countries: United States of America 🇺🇸
Sources: Crossref, ORCID
Added: April 20, 2019

Employment

Updated: July 2nd, 2018 11:34

1985 - present

North Carolina State University Raleigh, NC, US
Associate to Full to Distinguished Professor Chemical and Biomolecular Engineering

1977 - 1985

Princeton University Princeton, NJ, US
Assistant Professor Chemical Engineering

1976 - 1977

Bell Labs Murray Hill, NJ, US
Technical Staff Economic Modeling

1973 - 1976

Cornell University Ithaca, NY, US
postdoctoral associate Chemistry

Education

Updated: July 2nd, 2018 11:22

1967 - 1972

Stony Brook University Stony Brook, NY, US
Ph. D. Physics

1963 - 1967

Cornell University Ithaca, NY, US
BA Physics

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