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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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Protein Folding  Molecular Dynamics Simulation  Structure Prediction  
Equilibrium sampling by reweighting nonequilibrium simulation trajectories 期刊论文
PHYSICAL REVIEW E, 2016, 卷号: 93, 期号: 3, 页码: 33309
Authors:  Yang, C;  Wan, B;  Xu, S;  Wang, YT;  Zhou, X;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Jarzynski matrix equality: Calculating the free-energy difference by nonequilibrium simulations with an arbitrary initial distribution 期刊论文
PHYSICAL REVIEW E, 2016, 卷号: 93, 期号: 4, 页码: 43312
Authors:  Wan, B;  Yang, C;  Wang, YT;  Zhou, X;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Saturated sodium chloride solution under an external static electric field: A molecular dynamics study 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 12, 页码: 126402
Authors:  Ren, G;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Nacl Solution  Nucleation  Static External Electric Field  Molecular Dynamics Simulation  
Fast adaptive flat-histogram ensemble to enhance the sampling in large systems 期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2015, 卷号: 58, 期号: 9, 页码: 590501
Authors:  Xu, S;  Zhou, X;  Jiang, Y;  Wang, YT;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Molecular Dynamics Simulations  Enhanced Sampling  Density Of States  Generalized Canonical Ensemble  Flat-histogram Ensemble