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浏览/检索结果: 共8条，第1-8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   3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation 期刊论文 bioorganic & medicinal chemistry letters, 2013, 卷号: 23, 期号: 16, 页码: 4617-4621 作者:  Li, Xiao-Yan;  He, Bi-Feng;  Luo, Hua-Jun;  Huang, Nian-Yu;  Deng, Wei-Qiao 收藏  |  浏览/下载：31/0  |  提交时间：2014/09/11 3-Acyl-5-hydroxybenzofuran  Breast cancer  Estrogen receptor alpha (ER alpha)  Quantum Mechanics Polarized Ligand Docking (QPLD)   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 作者:  Chu, Huiying;  Min, Hanyi;  Zhang, Mingbo;  Shen, Hujun;  Li, Guohui 收藏  |  浏览/下载：20/0  |  提交时间：2014/09/11 ACE  different conformations  binding mode  interaction energy   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 作者:  Zhang, Dapeng;  Shen, Hujun;  Li, Guohui;  Zhao, Bailin;  Yu, Anchi 收藏  |  浏览/下载：20/0  |  提交时间：2013/10/11 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   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：25/0  |  提交时间：2013/10/11 beta-N-acetyl-D-hexosaminidase  OfHex1  inhibitor  virtual screening  molecular dynamics  MM/PBSA   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