Works (11)
Updated: September 23rd, 2024 08:17
2021 journal article
Insights into Structure and Aggregation Behavior of Elastin-like Polypeptide Coacervates: All-Atom Molecular Dynamics Simulations
JOURNAL OF PHYSICAL CHEMISTRY B, 125(30), 8627–8635.
MeSH headings : Elastin; Hydrophobic and Hydrophilic Interactions; Molecular Dynamics Simulation; Peptides; Temperature
TL;DR:
All-atom molecular dynamics simulations of 27 90-mer ELPs in explicit water at 350 K provide an insight into the sequence-dependent structure of coacervates and molecular behavior of individual peptides during aggregation.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 23, 2021
2019 journal article
Intrinsically disordered proteins access a range of hysteretic phase separation behaviors
Science Advances, 5(10), eaax5177.
Contributors: F. Quiroz *, n, S. Roberts *, P. Weber *, M. Dzuricky *, I. Weitzhandler *, Y. Yingling n , A. Chilkoti *
MeSH headings : Amino Acids / chemistry; Antifreeze Proteins / chemistry; Circular Dichroism; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Intrinsically Disordered Proteins / chemistry; Molecular Dynamics Simulation; Nanoparticles / chemistry; Phase Transition; Proline / chemistry; Temperature; Urea / chemistry
TL;DR:
It is discovered that IDP polymers composed of repeat motifs that encode LCST or UCST phase behavior can access a wide spectrum of nonequilibrium, hysteretic phase behaviors and hysteresis is tunable and that it emerges through increasingly stable interchain interactions in the insoluble phase.
(via Semantic Scholar)
open access via advances.sciencemag.org (publisher PDF)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, Crossref, ORCID, NC State University Libraries
Added: November 4, 2019
2017 journal article
Salt Responsive Morphologies of ssDNA-Based Triblock Polyelectrolytes in Semi-Dilute Regime: Effect of Volume Fractions and Polyelectrolyte Length
Macromolecular Rapid Communications, 38(20), 1700422.
Contributors: n, H. Kuang *, W. Fuss n, S. Zauscher *, E. Kokkoli * & Y. Yingling n
author keywords: block copolymers; dissipative particle dynamics simulations; polyelectrolytes; responsive morphology; self-assembly; ssDNA
MeSH headings : Cryoelectron Microscopy; DNA, Single-Stranded / chemistry; Hydrophobic and Hydrophilic Interactions; Micelles; Osmolar Concentration; Polyelectrolytes / chemistry; Sodium Chloride / chemistry; Solvents / chemistry
TL;DR:
Insight is provided into the network morphology and its changes by calculating the aggregation number, number of hydrophobic cores, and percentage of bridge chains in the network by utilizing an implicit solvent ionic strength method for dissipative particle dynamics simulations.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, Crossref, ORCID, NC State University Libraries
Added: August 6, 2018
2016 journal article
Emulsion-Based RIR-MAPLE Deposition of Conjugated Polymers: Primary Solvent Effect and Its Implications on Organic Solar Cell Performance
ACS APPLIED MATERIALS & INTERFACES, 8(30), 19494–19506.
Contributors: A. Stiff-Roberts *, Y. Yingling n , E. Lichtenberg*, R. McCormick *, n & W. Ge *
author keywords: MAPLE; emulsion target; polymer films; organic solar cells; dissipative particle dynamics
TL;DR:
The mechanism of polymer film formation using emulsion-based RIR-MAPLE is unveiled and insight and direction is provided to determine the best ways to take advantage of the emulsion target approach to control film properties for different applications.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2015 journal article
Characterization of Nucleic Acid Compaction with Histone-Mimic Nanoparticles through All-Atom Molecular Dynamics
ACS NANO, 9(12), 12374–12382.
Contributors: Y. Yingling n , n, A. Singh n & J. Nash n
author keywords: gold nanoparticles; DNA compaction; RNA compaction; molecular dynamics simulations; nanoparticle binding; nucleosome
MeSH headings : Gold / chemistry; Histones / chemistry; Metal Nanoparticles / chemistry; Molecular Dynamics Simulation; Nucleic Acids / chemistry; Nucleic Acids / metabolism; Nucleic Acids / ultrastructure
TL;DR:
Large-scale, all-atom simulations of ligand-functionalized gold nanoparticle (NP) binding to double stranded NAs as a function of NP charge and solution salt concentration reveal different responses of RNA and DNA to cationic NPs.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2015 journal article
LCST Behavior is Manifested in a Single Molecule: Elastin-Like polypeptide (VPGVG)n
BIOMACROMOLECULES, 17(1), 111–118.
Contributors: C. Hall n , Y. Yingling n , n & B. Zhao n
MeSH headings : Cold Temperature; Elastin / chemistry; Hydrogen Bonding; Oligopeptides / chemistry; Peptides / chemistry; Pharmaceutical Solutions / chemistry; Transition Temperature; Water / chemistry
TL;DR:
Simulation of the physical origin of the lower critical solution temperature (LCST) behavior of elastin-like polypeptides (ELPs) finds evidence for properties changes associated with LCST behavior in a single molecule by performing long atomic-level molecular dynamics simulation on the ELP sequences for four different length peptides over a wide range of temperatures.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2015 journal article
Prediction of solvent-induced morphological changes of polyelectrolyte diblock copolymer micelles
SOFT MATTER, 11(42), 8236–8245.
Contributors: n, W. Fuss n, L. Tang *, R. Gu *, A. Chilkoti *, S. Zauscher *, Y. Yingling n
MeSH headings : Computer Simulation; DNA, Single-Stranded / chemistry; Electrolytes / chemistry; Micelles; Models, Chemical; Polymers / chemistry; Solvents / chemistry
TL;DR:
Overall, this work was able to predict the salt-responsive morphology of polyelectrolyte materials in aqueous solution and show that a spherical-cylindrical-lamellar change in morphology can be obtained through an increase in solvent ionic strength or a decrease of poly Electrolyte length.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2014 journal article
An Implicit Solvent Ionic Strength (ISIS) Method to Model Polyelectrolyte Systems with Dissipative Particle Dynamics
MACROMOLECULAR THEORY AND SIMULATIONS, 24(1), 7–12.
Contributors: Y. Yingling n , W. Fuss n & n
author keywords: block copolymer; dissipative particle dynamics; polyelectrolyte; solvent ionic strength; self-assembly
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2014 journal article
Enzymatic Polymerization of High Molecular Weight DNA Amphiphiles That Self-Assemble into Star-Like Micelles
ADVANCED MATERIALS, 26(19), 3050–3054.
Contributors: L. Tang *, V. Tjong*, n, Y. Yingling n , A. Chilkoti * & S. Zauscher *
author keywords: polynucleotides; polymerase; self-assembly; AFM; dissipative particle dynamics
MeSH headings : Biocatalysis; Boron Compounds / chemistry; DNA, Single-Stranded / chemistry; DNA, Single-Stranded / metabolism; Enzymes / metabolism; Exodeoxyribonucleases / metabolism; Micelles; Microscopy, Atomic Force; Nanostructures / chemistry; Polymerization; Polynucleotides / chemistry
TL;DR:
High molecular weight ssDNA amphiphiles synthesized by enzymatic polymerization self-assemble into "hairy", star-like micelles, shown in the AFM image and the DPD snapshot.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2014 journal article
Molecular Description of the LCST Behavior of an Elastin-Like Polypeptide
BIOMACROMOLECULES, 15(10), 3522–3530.
Contributors: 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
TL;DR:
The results lead to propose that the LCST phase behavior of poly(VPGVG)18 is a collective phenomenon that originates from the correlated gradual changes in single polypeptide structure and the abrupt change in properties of hydration water around the peptide and is a result of a competition between peptide- peptide and peptides-water interactions.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
2014 journal article
Progress in molecular modelling of DNA materials
MOLECULAR SIMULATION, 40(10-11), 777–783.
Contributors: Y. Yingling n , M. Lim n, J. Nash n, H. Kim n & n
author keywords: molecular modelling; DNA materials; computer simulations
TL;DR:
The recent advances in atomistic and coarse-grained force fields along with simulations of DNA-based materials, as applied to DNA–nanoparticle assemblies for controlled material morphology, DNA–surface interactions for biosensor development and DNA origami are reviewed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018
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