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Discovery of a Highly Selective and Potent kappa Opioid Receptor Agonist from N-Cyclopropylmethyl-7 alpha-phenyl-6,14-endoethanotetrahydronorthebaines with Reduced Central Nervous System (CNS) Side Effects Navigated by the Message-Address Concept 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 24, 页码: 11054-11070
作者:  Xiao, Li;  Wang, Yujun;  Zhang, Mumei;  Wu, Weiwei;  Kong, Linghui
收藏  |  浏览/下载:94/0  |  提交时间:2020/07/01
A Statistical Thermodynamic Model for Ligands Interacting With Ion Channels: Theoretical Model and Experimental Validation of the KCNQ2 Channel 期刊论文
FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9
作者:  Bai, Fang;  Pi, Xiaoping;  Li, Ping;  Zhou, Pingzheng;  Yang, Huaiyu
收藏  |  浏览/下载:30/0  |  提交时间:2019/01/08
An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 卷号: 55, 期号: 4, 页码: 833-847
作者:  Bai, Fang;  Liao, Sha;  Gu, Junfeng
收藏  |  浏览/下载:22/0  |  提交时间:2019/01/08
Free energy landscape for the binding process of Huperzine A to acetylcholinesterase 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 卷号: 110, 期号: 11, 页码: 4273-4278
作者:  Bai, Fang;  Xu, Yechun;  Chen, Jing;  Liu, Qiufeng;  Gu, Junfeng
收藏  |  浏览/下载:18/0  |  提交时间:2019/01/08
Discovery of novel selective inhibitors for EGFR-T790M/L858R 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2012, 卷号: 22, 期号: 3, 页码: 1365-1370
作者:  Bai, Fang;  Liu, Hongyan;  Tong, Linjiang;  Zhou, Wei;  Liu, Li
收藏  |  浏览/下载:38/0  |  提交时间:2019/01/08
Molecular docking methods based on drug discovery grid 期刊论文
Huazhong Keji Daxue Xuebao (Ziran Kexue Ban)/Journal of Huazhong University of Science and Technology (Natural Science Edition), 2011, 卷号: 39, 期号: SUPPL. 1, 页码: 205-208
作者:  Li, Zhengfu;  Kang, Ling;  Yu, Kunqian;  Wang, Xicheng
收藏  |  浏览/下载:15/0  |  提交时间:2019/01/08
Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods 期刊论文
BMC BIOINFORMATICS, 2010, 卷号: 11
作者:  Bai, Fang;  Liu, Xiaofeng;  Li, Jiabo;  Zhang, Haoyun;  Jiang, Hualiang
收藏  |  浏览/下载:21/0  |  提交时间:2019/01/08
A novel conformation optimization model and algorithm for structure-based drug design 期刊论文
JOURNAL OF MATHEMATICAL CHEMISTRY, 2009, 卷号: 46, 期号: 1, 页码: 182-198
作者:  Kang, Ling;  Li, Honglin;  Zhao, Xiaoyu;  Jiang, Hualiang;  Wang, Xicheng
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation 期刊论文
BMC BIOINFORMATICS, 2009, 卷号: 10
作者:  Liu, Xiaofeng;  Bai, Fang;  Ouyang, Sisheng;  Wang, Xicheng;  Li, Honglin
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08
Optimizing Energy Potential for Protein Fold Recognition with Parametric Evaluation Function 期刊论文
JOURNAL OF COMPUTATIONAL BIOLOGY, 2009, 卷号: 16, 期号: 3, 页码: 427-441
作者:  Gu, Junfeng;  Li, Honglin;  Jiang, Hualiang;  Wang, Xicheng
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08


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