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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  
Theoretical study on the structures and properties of mixtures of urea and choline chloride 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 6, 页码: 2433-2441
Authors:  Sun, Hui;  Li, Yan;  Wu, Xue;  Li, Guohui;  Li GH(李国辉)
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Deep Eutectic Solvent  Dynamic Structure  Property  Molecular Dynamic Simulation  
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  
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)
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Hces1  Binding Pattern  Molecular Simulations  
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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Investigation of Family 18 Chitinases and Inhibitors by Computer-Aided Approaches 期刊论文
CURRENT DRUG TARGETS, 2012, 卷号: 13, 期号: 4, 页码: 502-511
Authors:  Chu, Huiying;  Wang, Jinan;  Shen, Hujun;  Yang, Yongliang;  Zhu, Weiliang;  Li, Guohui;  YangYongliang;  ZhuWeiliang;  Li GH(李国辉)
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Chitinases  Chitinase Inhibitors  Computer-aided Approach  
Identification of Novel Potential beta-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2012, 卷号: 13, 期号: 4, 页码: 4545-4563
Authors:  Liu, Jianling;  Liu, Mengmeng;  Yao, Yao;  Wang, Jinan;  Li, Yan;  Li, Guohui;  Wang, Yonghua;  WangYonghua
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Beta-n-acetyl-d-hexosaminidase  Ofhex1  Inhibitor  Virtual Screening  Molecular Dynamics  Mm/pbsa  
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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