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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 学科主题：物理化学     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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：15/0  |  提交时间：2015/11/16 Pyrimidine derivatives  Human A(2A) adenosine receptor  Molecular docking  Molecular dynamics  Thermodynamic analysis  3D-QSAR   Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials 期刊论文 journal of molecular modeling, 2013, 卷号: 19, 期号: 2, 页码: 551-558 作者:  Xu, Peijun;  Shen, Hujun;  Yang, Lu;  Ding, Yang;  Li, Beibei 收藏  |  浏览/下载：31/0  |  提交时间：2014/09/11 Ab initio QM  AMOEBA force field  Coarse-grained model  Diffusion coefficient  Radial distribution function   Structure Requirements for 4-Aryl-4H-Chromenes as Apoptosis Inducers Using 3D QSAR Methods and Docking Studies 期刊论文 asian journal of chemistry, 2012, 卷号: 24, 期号: 6, 页码: 2450-2460 作者:  Liu, Zhen;  Li, Yan;  Ren, Hong;  Zhang, Shuwei;  Wang, Yonghua 收藏  |  浏览/下载：21/0  |  提交时间：2013/10/11 Chromenes  Apoptosis inducer  CoMFA  CoMSIA  Caspase-3  Tubulin   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：27/0  |  提交时间：2013/10/11 Protein kinase C theta  CoMFA  CoMSIA  3D-QSAR  Molecular docking  Molecular dynamics   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 作者:  Chu, Huiying;  Wang, Jinan;  Shen, Hujun;  Yang, Yongliang;  Zhu, Weiliang 收藏  |  浏览/下载：21/0  |  提交时间：2013/10/11 Chitinases  chitinase inhibitors  computer-aided approach   Modular Pathway Engineering of Diterpenoid Synthases and the Mevalonic Acid Pathway for Miltiradiene Production 期刊论文 journal of the american chemical society, 2012, 卷号: 134, 期号: 6, 页码: 3234-3241 作者:  Zhou, Yongjin J.;  Gao, Wei;  Rong, Qixian;  Jin, Guojie;  Chu, Huiying 收藏  |  浏览/下载：130/0  |  提交时间：2013/10/11 In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors 期刊论文 international journal of molecular sciences, 2011, 卷号: 12, 期号: 11, 页码: 8161-8180 作者:  Hao, Ming;  Zhang, Xiaole;  Ren, Hong;  Li, Yan;  Zhang, Shuwei 收藏  |  浏览/下载：20/0  |  提交时间：2012/07/09 3D-QSAR  molecular dynamics  FBPase inhibitors  CoMFA  CoMSIA