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Smoothing potential energy surface of proteins by hybrid coarse grained approach 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 5, 页码: 50202
Authors:  Lu, YK;  Zhou, X;  OuYang, ZC;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
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Coarse-grained  Hybrid Force Field  Enhanced Sampling  Protein Folding  
Reweighted ensemble dynamics simulations: Theory, improvement, and application 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 6, 页码: 60202
Authors:  Gong, LC;  Zhou, X;  Ouyang, ZC;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys, Beijing 100049, Peoples R China.
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Ensemble Dynamics Simulations  Peptides  Enhanced Sampling  Metastable States  
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