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Combining 3D-QSAR, docking, molecular dynamics and MM/PBSA methods to predict binding modes for nonsteroidal selective modulator to glucocorticoid receptor 期刊论文
Bioorg. Med. Chem. Lett., 2009, 卷号: 19, 期号: 2, 页码: 393-396
XU YONG; 张涛; 陈敏伯
收藏  |  浏览/下载:11/0  |  提交时间:2013/08/21
Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1 期刊论文
J. Mol. Graph., 2009, 卷号: 28, 期号: 3, 页码: 203-219
李嫣; 周炳城; 王任小
收藏  |  浏览/下载:19/0  |  提交时间:2013/08/29
Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function 期刊论文
J. Chem Inf. Model., 2009, 卷号: 49, 期号: 4, 页码: 1033-1048
张兴龙; 李勋; 王任小
收藏  |  浏览/下载:15/0  |  提交时间:2013/08/29
Molecular dynamics simulation study for LRH-1: Interaction with fragments of BHP and function of phospholipid ligand 期刊论文
Proteins, 2008, 卷号: 70, 期号: 4, 页码: 1527-1539
张涛; 史良伟; 周俊红; 朱瑞新; 陈敏伯
收藏  |  浏览/下载:21/0  |  提交时间:2013/08/14
Molecular dynamics simulation of iminosugar inhibitor-glycosidase complex: Insight into the binding mechanism of 1-deoxynojirimycin and isofagomine toward beta-glucosidase 期刊论文
J. Chem. Theory Comput., 2006, 卷号: 2, 期号: 1, 页码: 157-165
周金明; 周俊红; 孟懿; 陈敏伯
收藏  |  浏览/下载:21/0  |  提交时间:2013/08/14


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