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Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations 期刊论文
CHEMICO-BIOLOGICAL INTERACTIONS, 2016, 卷号: 259, 页码: 142-147
Authors:  Zhang, Yuxin;  Huang, Xiaoqin;  Han, Keli;  Zheng, Fang;  Zhan, Chang-Guo
Favorite  |  View/Download:13/0  |  Submit date:2017/10/29
Esterase  Cocaine  Binding Process  Energy Barrier  
Exploring the Proton Conductance and Drug Resistance of BM2 Channel through Molecular Dynamics Simulations and Free Energy Calculations at Different pH Conditions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 4, 页码: 982-988
Authors:  Zhang, Yuxin;  Shen, Hujun;  Zhang, Mingbo;  Li, Guohui;  Li GH(李国辉)
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Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2012, 卷号: 13, 期号: 2, 页码: 2176-2195
Authors:  Chen, Jianzhong;  Zhang, Dinglin;  Zhang, Yuxin;  Li, Guohui
Favorite  |  View/Download:14/0  |  Submit date:2015/11/13
P53-mdm2/mdmx Interaction  Molecular Dynamics Simulation  Binding Free Energy  Alanine Scanning  
Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2MDMX Based on Molecular Dynamics Simulations 期刊论文
International Journal of Molecular Sciences, 2012, 卷号: 13, 期号: 2, 页码: 2176
Authors:  Chen JZ(陈建中);  Zhang DL(张鼎林);  Zhang YX(张玉新);  Li GH(李国辉)
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