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UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2013, 卷号: 12, 期号: 8, 页码: 1341003
Authors:  Fu, Ting;  Wu, Xue;  Xiu, Zhilong;  Wang, Jinguang;  Yin, Liu;  Li, Guohui;  Li GH(李国辉)
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Aurora a  Molecular Dynamics Simulations  Mm-pb/gbsa  
Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSwith Various Partial Charge Models 期刊论文
Current Pharmaceutical Design, 2013, 卷号: 19, 页码: 2293
Authors:  Fu T(付婷);  Zhong Jin;  Zhilong Xiu;  Li GH(李国辉)
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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  
A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 卷号: 984, 页码: 43-50
Authors:  Cheng, Wei-yuan;  Chen, Jian-zhong;  Liang, Zhi-qiang;  Li, Guo-hui;  Yi, Chang-hong;  Wang, Wei;  Wang, Ke-yan;  ChenJianzhong
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Md Simulation  Computational Alanine Scanning  Mm-gbsa Method  P53-mdmx Interaction  Cross Correlation Analysis  
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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Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptidesmall molecular inhibitor: Mechanism for drug resistance 期刊论文
Insect Biochemistry and Molecular Biology, 2012, 卷号: 42, 期号: 8, 页码: 583
Authors:  ZhangHong;  YaoYao;  YangHuibin;  WangXia;  KangZhuo;  LiYan;  Li GH(李国辉);  WangYonghua;  YonghuaWang
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Insight into Mechanism of Small Molecule Inhibitors of the MDM2-p53 Interaction: Molecular Dynamics Simulation and Free Energy Analysis 期刊论文
Journal of Molecular Graphics and Modelling, 2011, 卷号: 待补充, 期号: 待补充, 页码: 46
Authors:  Chen JZ(陈建中);  Wang JA(王进安);  Xu BS(徐贝思);  WeiliangZhu;  Li GH(李国辉)
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