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Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution 期刊论文
Angew. Chem.-Int. Edit., 2015, 卷号: 54, 期号: 42, 页码: 12410-12415
作者:  Sun ZT(孙周通);  理查德·郎斯达勒;  Kong XD(孔旭东);  Xu JH(许建和);  Zhou JH(周佳海)
收藏  |  浏览/下载:36/0  |  提交时间:2016/12/05
Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors 期刊论文
Bioorg. Med. Chem., 2015, 卷号: 23, 期号: 18, 页码: 6173-6184
作者:  Li YL(李亚莉);  Qi XY(齐翔宇);  Jiang H(蒋慧);  Deng XD(邓小东);  Dong YP(董艳萍)
收藏  |  浏览/下载:41/0  |  提交时间:2016/12/06
Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results 期刊论文
J. Chem Inf. Model., 2014, 卷号: 54, 期号: 6, 页码: 1717-1736
作者:  LI YAN;  HAN LI;  LIU ZHIHAI;  Wang RX(王任小)
收藏  |  浏览/下载:26/0  |  提交时间:2016/08/30
Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set 期刊论文
J. Chem Inf. Model., 2014, 卷号: 54, 期号: 6, 页码: 1700-1716
作者:  LI YAN;  LIU ZHIHAI;  LI JIE;  HAN LI;  LIU JIE
收藏  |  浏览/下载:19/0  |  提交时间:2016/08/30
Design, synthesis, and biological evaluation of novel trifluoromethyl indoles as potent HIV-1 NNRTIs with an improved drug resistance profile 期刊论文
Org. Biomol. Chem., 2014, 卷号: 12, 期号: 21, 页码: 3446-3458
作者:  Jiang HX(姜海霞);  Zhuang DM(庄道明);  Huang Y(黄迎);  Cao XX(曹欣欣);  Yao JH(姚建华)
收藏  |  浏览/下载:13/0  |  提交时间:2016/08/30
Synthesis, Evaluation, and Mechanism of N,N,N-Trimethyl-D-glucosamine-(1 -> 4)-chitooligosaccharides as Selective Inhibitors of Glycosyl Hydrolase Family 20 beta-N-Acetyl-D-hexosaminidases 期刊论文
ChemBioChem, 2011, 卷号: 12, 期号: 3, 页码: 457-467
杨友; Liu, Tian; Yang, Yongliang; Wu, Qingyue; Yang, Qing; 俞飚
收藏  |  浏览/下载:26/0  |  提交时间:2013/02/25
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 modeling of interactions of the benzolactam-V8 modulators with the Cys2 domain of protein kinase C delta 期刊论文
Chin. J. Chem., 2007, 卷号: 25, 期号: 10, 页码: 1434-1438
黄莉莉; 马大为; 夏宗芗
收藏  |  浏览/下载:5/0  |  提交时间:2013/02/19


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