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Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists 期刊论文
biosystems, 2014, 卷号: 115, 期号: 1, 页码: 13-22
作者:  Zhang, Lihui;  Liu, Tianjun;  Wang, Xia;  Wang, Jinan;  Li, Guohui
收藏  |  浏览/下载:14/0  |  提交时间:2015/11/16
Photophysical Properties of Self-Assembled Multinuclear Platinum Metallacycles with Different Conformational Geometries 期刊论文
journal of the american chemical society, 2013, 卷号: 135, 期号: 17, 页码: 6694-6702
作者:  Chen, Jun-Sheng;  Zhao, Guang-Jiu;  Cook, Timothy R.;  Han, Ke-Li;  Stang, Peter J.
收藏  |  浏览/下载:21/0  |  提交时间:2014/09/11
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
付婷; Zhong Jin; Zhilong Xiu; 李国辉
收藏  |  浏览/下载:8/0  |  提交时间:2014/09/11
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
作者:  Fu, Ting;  Min, Hanyi;  Xu, Yong;  Chen, Jianzhong;  Li, Guohui
收藏  |  浏览/下载:13/0  |  提交时间:2013/10/11
Exploring the structure requirement for KC theta inhibitory activity of pyridinecarbonitrile derivatives: an in silico analysis 期刊论文
journal of molecular graphics & modelling, 2012, 卷号: 34, 页码: 76-88
作者:  Li, Yan;  Hao, Ming;  Ren, Hong;  Zhang, Shuwei;  Wang, Xia
收藏  |  浏览/下载:26/0  |  提交时间:2013/10/11
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
作者:  Liu, Jianling;  Liu, Mengmeng;  Yao, Yao;  Wang, Jinan;  Li, Yan
收藏  |  浏览/下载:24/0  |  提交时间:2013/10/11
Synthesis, Crystal Structures, and Luminescence and Magnetic Properties of 3D Chiral and Achiral Lanthanide Diphosphonates Containing Left- and Right-Handed Helical Chains 期刊论文
crystal growth & design, 2011, 卷号: 11, 期号: 12, 页码: 5346-5354
作者:  Dong, Da-Peng;  Liu, Lei;  Sun, Zhen-Gang;  Jiao, Cheng-Qi;  Liu, Zhong-Min
收藏  |  浏览/下载:22/0  |  提交时间:2012/07/09
Design and synthesis of a tridentate ligand inspired by the phenomenon of self-assembly catalysis and its application in the asymmetric alkynylation of N-(diphenylphosphinoyl) imines 期刊论文
Tetrahedron: Asymmetry, 2010, 卷号: 21, 页码: 2037-2042
阎文锦; 李鹏; 冯静超; 王东; 朱绍群; 蒋先兴; 王锐
收藏  |  浏览/下载:20/0  |  提交时间:2012/09/21
Specification of the Binding and Interaction Features: Effect on CYP2A6 Inhibition 会议论文
3rd asian pacific regional issx meetin, 泰国, 2009-5-10
艾纯芝; 杨凌
收藏  |  浏览/下载:9/0  |  提交时间:2011/07/11
Heterogeneous chiral catalysis on surfaces, in nanopores and with emulsions 会议论文
14th international congress on catalysis, 韩国, 2008-7-13
李灿
收藏  |  浏览/下载:15/0  |  提交时间:2011/07/11


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