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Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids 期刊论文
MOLECULAR PHYSICS, 2018, 卷号: 116, 期号: 7-8, 页码: 1037-1050
Authors:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Min, Hanyi;  Li, Guohui
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Polarizable Atomic Multipole-based Force Field  Membrane Bilayers Model  Dopc  Pope  
Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors 期刊论文
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2013, 卷号: 13, 期号: 10, 页码: 1211-1221
Authors:  Chu, Huiying;  Min, Hanyi;  Zhang, Mingbo;  Shen, Hujun;  Li, Guohui;  Hanyi Min;  Li GH(李国辉)
Adobe PDF(1836Kb)  |  Favorite  |  View/Download:141/61  |  Submit date:2014/09/11
Ace  Different Conformations  Binding Mode  Interaction Energy  
Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations 期刊论文
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2013, 卷号: 13, 期号: 10, 页码: 1222-1233
Authors:  Chu, Huiying;  Min, Hanyi;  Zhang, Mingbo;  Shen, Hujun;  Li, Guohui;  Hanyi Min;  Li GH(李国辉)
Adobe PDF(2481Kb)  |  Favorite  |  View/Download:102/31  |  Submit date:2014/09/11
Hces1  Binding Pattern  Molecular Simulations  
Molecular Dynamic Simulation Insights into the Normal State and Restoration of p53 Function 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2012, 卷号: 13, 期号: 8, 页码: 9709-9740
Authors:  Fu, Ting;  Min, Hanyi;  Xu, Yong;  Chen, Jianzhong;  Li, Guohui;  Li GH(李国辉)
Adobe PDF(624Kb)  |  Favorite  |  View/Download:111/34  |  Submit date:2013/10/11
P53  Mdm2  Mdmx  Molecular Dynamic Simulation  Conformational Change  Protein-protein Interaction  Protein-ligand Interaction