Works (27)

Updated: April 11th, 2023 10:13

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, R. Kilgore, S. Sarma, W. Chu, S. Menegatti & C. Hall

author keywords: Affinity ligands; Ligand design; Biorecognition; Protein chromatography; Fragment antigen binding
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

2021 journal article

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

SCIENCE ADVANCES, 7(36).

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

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, X. Dong, X. Xiao, D. Seroski*, R. Liu* ...

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. 17.

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

Sources: Web Of Science, ORCID
Added: December 30, 2021

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, Z. Kuang*, B. Burke*, Y. Chushak*, B. Farmer, P. Mirau*, R. Naik*, C. Hall

Sources: Web Of Science, ORCID
Added: February 3, 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, C. Shanahan n, G. Driessche n, D. Fourches, R. Carbonell, C. Hall, S. Menegatti

author keywords: Peptide affinity ligands; Protein A; mAb purification; Affinity chromatography; Peptide design
Sources: Web Of Science, ORCID
Added: August 10, 2020

2019 journal article

All-silica zeolites screening for capture of toxic gases from molecular simulation

CHINESE JOURNAL OF CHEMICAL ENGINEERING, 27(1), 174–181.

By: Z. Yan*, S. Tang*, X. Zhou*, L. Yang*, X. Xiao, H. Chen*, Y. Qin*, W. Sun*

author keywords: All-silica zeolites; Toxic gases; Adsorption isotherm; GCMC simulation
Source: Web Of Science
Added: February 11, 2019

2019 journal article

Computational Study of Thermosensitivity of Liposomes Modulated by Leucine Zipper-Structured Lipopeptides

ACTA PHYSICO-CHIMICA SINICA, 35(6), 598–606.

By: X. Xiejun, X. Xingqing, X. Shouhong & L. Hongai

author keywords: Leucine zipper-structured lipopeptides; Thermosensitive liposomes; Cancer therapy; Drug carrier; Molecular dynamics simulation
Source: Web Of Science
Added: April 20, 2020

2019 journal article

Computational study of transition states for reaction path of energetic material TKX-50

JOURNAL OF ENERGETIC MATERIALS, 37(2), 240–250.

By: M. Li*, H. Chen*, X. Xiao, L. Yang*, C. Peng*, Y. Qin*, T. Wang*, W. Sun*, C. Wang*

author keywords: Energetic materials; TKX-50; density functional theory; transition states; equilibrium constants
Source: Web Of Science
Added: May 6, 2019

2019 journal article

Insights into the solvation and dynamic behaviors of a lithium salt in organic- and ionic liquid-based electrolytes

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21(35), 19216–19225.

Source: Web Of Science
Added: October 7, 2019

2018 journal article

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

ACS SENSORS, 3(5), 1024–1031.

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

author keywords: troponin I; biorecognition elements; biosensor; phage displayed peptides; LSPR; computational modeling
Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 article

Capture of pure toxic gases through porous materials from molecular simulations

MOLECULAR PHYSICS, Vol. 116, pp. 2095–2107.

By: X. Zhou*, Z. Su*, H. Chen*, X. Xiao, Y. Qin*, L. Yang*, Z. Yan*, W. Sun*

author keywords: GCMC simulation; adsorption; MOFs; COFs; toxic gas
Source: Web Of Science
Added: August 6, 2018

2018 journal article

Potent aromatase inhibitors and molecular mechanism of inhibitory action

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 143, 426–437.

By: H. Kang*, X. Xiao, C. Huang*, Y. Yuan*, D. Tang*, X. Dai*, X. Zeng*

author keywords: Estrogen; Breast cancer; Aromatase inhibitors (AIs); Letrozole; Molecular mechanism of inhibitory action
Source: Web Of Science
Added: August 6, 2018

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, Y. Wang, J. Leonard* & C. Hall

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, M. Hung*, J. Leonard* & C. Hall

author keywords: peptide-design algorithm; N peptide-boxB RNA; RNA-binding peptide; RNA tethering; energy minimization strategy
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Computational insights into the destabilization of alpha-helical conformations formed by leucine zipper peptides in response to temperature

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(36), 25465–25473.

By: X. Xu*, X. Xiao, S. Xu* & H. Liu*

Source: Web Of Science
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, P. Agris* & C. Hall

author keywords: peptide design; search algorithm; atomistic molecular dynamics simulation; tRNA(UUU)(Lys3); binding affinity and specificity
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Probe the Binding Mode of Aristololactam-beta-D-glucoside to Phenylalanine Transfer RNA in Silico

CHEMISTRYSELECT, 1(17), 5430–5439.

By: X. Xiao, B. Zhao, L. Yang*, X. Liang* & Y. Ren*

author keywords: Aristololactam-beta-D-glucoside; Binding of drug molecule and RNA; Molecular docking and simulations; Molecular recognition mechanism; Phenylalanine transfer RNA
Source: Web Of Science
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, B. Zhao, P. Agris* & C. Hall

author keywords: binding uniqueness; target tRNA(Lys3) UUU; binding of RNA and peptide; molecular recognition mechanism
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, P. Agris* & C. Hall

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

2015 journal article

Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 1. Layer thickness of a curved monolayer

CHEMICAL PHYSICS LETTERS, 633, 58–64.

By: X. Xiao, B. Zhao & Y. Ren*

Source: Web Of Science
Added: August 6, 2018

2015 journal article

Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 2. Domain adjustment in a curved bilayer

CHEMICAL PHYSICS LETTERS, 639, 326–334.

By: X. Xiao, B. Zhao, L. Yang* & Y. Ren*

Source: Web Of Science
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, P. Agris* & C. Hall

author keywords: molecular recognition; binding free energy; atomistic molecular dynamics simulation; binding affinity and specificity; peptide and tRNA(Lys3)
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, X. Xiao, S. Sofou* & C. Hall

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, C. Hall & P. Agris

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

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, C. Hall & P. Agris*

author keywords: protein design; Monte Carlo technique; self-consistent mean field theory; search algorithm; binding affinity and specificity
Sources: Web Of Science, ORCID
Added: August 6, 2018