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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  
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)
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Ace  Different Conformations  Binding Mode  Interaction Energy  
Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins 期刊论文
CURRENT PHARMACEUTICAL DESIGN, 2013, 卷号: 19, 期号: 12, 页码: 2308-2317
Authors:  Wu, Xue;  Shi, Yue;  Ren, Pengyu;  Wang, Deping;  Li, Guohui;  Li GH(李国辉)
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Molecular Dynamics Simulation Darpins Protein Drug  Dynamical Cross Correlation Stability  
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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Variation in One Residue Associated with the Metal Ion- Dependent Adhesion Site Regulates αIIbβ3 IntegrinLigand Binding Affinity 期刊论文
PLOS One, 2013, 卷号: 8, 期号: 10, 页码: 76793
Authors:  ;  Joel Raborn;  Fu T(付婷);  Wu X(吴雪);  Zhilong Xiu;  Li GH(李国辉);  Bing-Hao Luo
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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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COMPARING FOLDING MECHANISMS OF DIFFERENT PRION PROTEINS BY Go MODEL 期刊论文
Journal of Theoretical and Computational Chemistry, 2013, 卷号: 12, 期号: 8, 页码: 1341004
Authors:  Wu X(吴雪);  Fu T(付婷);  ZHI-LONG XIU;  LIU YIN;  JIN-GUANG WANG;  Li GH(李国辉)
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Role of Bivalent Cations in Structural Stabilities of New Drug Targets ——Vaccinia-related Kinases (VRK) from Molecular Dynamics Simulations 期刊论文
Current Pharmaceutical Design, 2013, 卷号: 19, 页码: 2269
Authors:  付婷;  Hong Ren;  Jiajing Zhang;  Pengyu Ren;  Istvan Enyedy;  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)
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P53  Mdm2  Mdmx  Molecular Dynamic Simulation  Conformational Change  Protein-protein Interaction  Protein-ligand Interaction  
Identification, Characterization, and Epitope Mapping of Human Monoclonal Antibody J19 That Specifically Recognizes Activated Integrin alpha(4)beta(7) 期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2012, 卷号: 287, 期号: 19, 页码: 15749-15759
Authors:  Qi, JunPeng;  Zhang, Kun;  Zhang, Qiao;  Sun, Yi;  Fu, Ting;  Li, GuoHui;  Chen, JianFeng;  ChenJianFeng
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