Works (21)

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

Source: Web Of Science
Added: February 3, 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

Source: NC State University Libraries
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

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

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.

By: J. Tong, X. Xiao, X. Liang, N. Solms, F. Huo, H. He, S. Zhang

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 ...

Source: NC State University Libraries
Added: August 6, 2018

2018 journal article

Capture of pure toxic gases through porous materials from molecular simulations

Molecular Physics, 116(15-16), 2095–2107.

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

Source: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
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: NC State University Libraries
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, 84(5), 700–711.

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

Source: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
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: NC State University Libraries
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: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
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

Source: NC State University Libraries
Added: August 6, 2018