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SCI期刊论文 [26]
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Multiscale computational prediction of beta-sheet peptide self-assembly morphology
期刊论文
MOLECULAR SIMULATION, 2020, 页码: 暂无
Authors:
Deng, Li
;
Wang, Yanting
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Submit date:2020/06/16
MOLECULAR-DYNAMICS METHOD
INTERMOLECULAR FORCES
PROTEIN AGGREGATION
NANOMECHANICS
POLYMORPHISM
SIMULATIONS
TRANSITIONS
NANOTUBES
FIBRILS
SOLVENT
Phase Behaviors of Ionic Liquids Heating from Different Crystal Polymorphs toward the Same Smectic-A Ionic Liquid Crystal by Molecular Dynamics Simulation
期刊论文
CRYSTALS, 2019, 卷号: 9, 期号: 1, 页码: 26
Authors:
Cao, WD
;
Wang, YT
Adobe PDF(4363Kb)
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Submit date:2019/07/19
SPATIAL HETEROGENEITY
ATOMIC CHARGES
CHAIN-LENGTH
TRANSITION
INSIGHTS
DIFFUSION
STATE
Poisson-Boltzmann theory with non-linear ion correlations
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 35, 页码: 355101
Authors:
Su, M
;
Xu, ZJ
;
Wang, YT
Adobe PDF(1125Kb)
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Submit date:2019/07/19
ELECTRIC-DOUBLE-LAYER
INTEGRAL-EQUATION
ELECTROLYTES
INVERSION
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
Authors:
Cao, WD
;
Wang, YT
;
Saielli, G
Adobe PDF(3802Kb)
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Submit date:2018/12/27
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Dynamic heterogeneity in aqueous ionic solutions
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 33, 页码: 21313-21324
Authors:
Ren, G
;
Chen, L
;
Wang, YT
Adobe PDF(3850Kb)
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Submit date:2018/12/27
ALKALI-HALIDE SOLUTIONS
STOKES-EINSTEIN RELATION
MOLECULAR-DYNAMICS
CONDUCTIVITY RELAXATION
DIELECTRIC-SPECTROSCOPY
HOMOGENEOUS NUCLEATION
ELECTROLYTE-SOLUTIONS
SUPERCOOLED WATER
LIGHT-SCATTERING
LENNARD-JONES
Molecular dynamics simulation study of the "stay or leave" problem for two magnesium ions in gene transcription
期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2017, 卷号: 85, 期号: 6, 页码: 1002-1007
Authors:
Wu, SG
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610066, Peoples R China.
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Submit date:2017/12/21
Molecular Dynamics Simulation
T7 Rna Polymerase
Magnesium Ion
Transcription Mechanism
Free Energy
Mechanism of NTP Binding to the Active Site of T7 RNA Polymerase Revealed by Free-Energy Simulation
期刊论文
BIOPHYSICAL JOURNAL, 2017, 卷号: 112, 期号: 11, 页码: 2253-2260
Authors:
Wu, SG
;
Li, LC
;
Li, Q
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu, Peoples R China.
;
Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing, Peoples R China.
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Submit date:2017/12/21
Anisotropic formation mechanism and nanomechanics for the self-assembly process of cross-beta peptides
期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 12, 页码: 128701
Authors:
Deng, L
;
Zhao, YR
;
Zhou, P
;
Xu, H
;
Wang, YT
Adobe PDF(52289Kb)
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Submit date:2018/12/26
Steered Molecular-dynamics
Atomic-force Microscopy
Particle Mesh Ewald
Amyloid Fibrils
Free-energy
Intermolecular Forces
Monte-carlo
Nanotubes
Systems
Simulations
Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 68, 期号: 1, 页码: 137-148
Authors:
Song, YS
;
Zhou, X
;
Zheng, WM
;
Wang, YT
;
Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
;
Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Submit date:2017/12/21
Protein Folding
Molecular Dynamics Simulation
Structure Prediction
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
Authors:
Wu, SG
;
Feng, D
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
;
Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Submit date:2017/10/13
Potential Of Mean Force
Hydrogen Bond
Molecular Dynamics Simulation
Umbrella Sampling