DICP OpenIR

Browse/Search Results:  1-10 of 13 Help

Filters    
Selected(0)Clear Items/Page:    Sort:
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  
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)
Adobe PDF(963Kb)  |  Favorite  |  View/Download:96/41  |  Submit date:2014/09/11
Molecular Dynamics Simulation Darpins Protein Drug  Dynamical Cross Correlation Stability  
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)
Adobe PDF(253Kb)  |  Favorite  |  View/Download:88/36  |  Submit date:2014/09/11
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)
Adobe PDF(687Kb)  |  Favorite  |  View/Download:103/41  |  Submit date:2014/09/11
QMMM MD and free energy simulations of the methylation reactions catalyzed by protein arginine methyltransferase PRMT3 期刊论文
Canadian Journal of Chemistry, 2013, 卷号: 91, 页码: 605
Authors:  Chu YZ;  Li GH(李国辉);  Guo Hong
Adobe PDF(1993Kb)  |  Favorite  |  View/Download:84/41  |  Submit date:2014/09/11
Specific and Sensitive Fluorescence Anisotropy Sensing of Guanine-Quadruplex Structures via a Photoinduced Electron Transfer Mechanism 期刊论文
ANALYTICAL CHEMISTRY, 2012, 卷号: 84, 期号: 18, 页码: 8088-8094
Authors:  Zhang, Dapeng;  Shen, Hujun;  Li, Guohui;  Zhao, Bailin;  Yu, Anchi;  Zhao, Qiang;  Wang, Hailin;  WangHailin
Adobe PDF(392Kb)  |  Favorite  |  View/Download:182/35  |  Submit date:2013/10/11
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  
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
Adobe PDF(3065Kb)  |  Favorite  |  View/Download:94/23  |  Submit date:2013/10/11
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)
Adobe PDF(376Kb)  |  Favorite  |  View/Download:151/58  |  Submit date:2013/10/11
Chitinases  Chitinase Inhibitors  Computer-aided Approach  
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
Adobe PDF(1375Kb)  |  Favorite  |  View/Download:130/32  |  Submit date:2013/10/11
Md Simulation  Computational Alanine Scanning  Mm-gbsa Method  P53-mdmx Interaction  Cross Correlation Analysis