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Active constituents and mechanisms of Respiratory Detox Shot, a traditional Chinese medicine prescription, for COVID-19 control and prevention: Network -molecular docking-LC-MSE analysis 期刊论文
JOURNAL OF INTEGRATIVE MEDICINE-JIM, 2020, 卷号: 18, 期号: 3, 页码: 229-241
作者:  Zhang, Zi-jia;  Wu, Wen-yong;  Hou, Jin-jun;  Zhang, Lin-lin;  Li, Fei-fei
收藏  |  浏览/下载:49/0  |  提交时间:2020/07/01
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 1, 页码: 226-234
作者:  Kamsri, Pharit;  Hanwarinroj, Chayanin;  Phusi, Naruedon;  Pornprom, Thimpika;  Chayajarus, Kampanart
收藏  |  浏览/下载:24/0  |  提交时间:2020/07/01
Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 卷号: 60, 期号: 24, 页码: 10231-10244
作者:  Liu, Qiufeng;  Huang, Fubao;  Yuan, Xiaojing;  Wang, Kai;  Zou, Yi
收藏  |  浏览/下载:32/0  |  提交时间:2019/01/08
Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 7, 页码: 1677-1690
作者:  Xing, Jing;  Lu, Wenchao;  Liu, Rongfeng;  Wang, Yulan;  Xie, Yiqian
收藏  |  浏览/下载:23/0  |  提交时间:2019/01/08
Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 卷号: 55, 期号: 9, 页码: 1994-2004
作者:  Zhang, Yu;  Xu, Lei;  Zhang, Zhiqiang;  Zhang, Zhiyu;  Zheng, Longtai
收藏  |  浏览/下载:25/0  |  提交时间:2019/01/08
Rapid Generation of Privileged Substructure-Based Compound Libraries with Structural Diversity and Drug-Likeness 期刊论文
ACS COMBINATORIAL SCIENCE, 2014, 卷号: 16, 期号: 4, 页码: 184-191
作者:  Zhang, Lei;  Zheng, Mingyue;  Zhao, Fei;  Zhai, Yun;  Liu, Hong
收藏  |  浏览/下载:12/0  |  提交时间:2019/01/08
Multi-algorithm and multi-model based drug target prediction and web server 期刊论文
ACTA PHARMACOLOGICA SINICA, 2014, 卷号: 35, 期号: 3, 页码: 419-431
作者:  Liu, Ying-tao;  Li, Yi;  Huang, Zi-fu;  Xu, Zhi-jian;  Yang, Zhuo
收藏  |  浏览/下载:11/0  |  提交时间:2019/01/08
CCLab-a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2012, 卷号: 22, 期号: 14, 页码: 4540-4545
作者:  Fang, Guanghua;  Xue, Mengzhu;  Su, Mingbo;  Hu, Dingyu;  Li, Yanlian
收藏  |  浏览/下载:24/0  |  提交时间:2019/01/08
An integrated drug-likeness study for bicyclic privileged structures: from physicochemical properties to in vitro ADME properties 期刊论文
MOLECULAR DIVERSITY, 2011, 卷号: 15, 期号: 4, 页码: 857-876
作者:  Han, Chunyan;  Zhang, Jinlan;  Zheng, Mingyue;  Xiao, Yao;  Li, Yan
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08
A new rapid and effective chemistry space filter in recognizing a druglike database 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2005, 卷号: 45, 期号: 4, 页码: 856-862
作者:  Zheng, SX;  Luo, XM;  Chen, G;  Zhu, WL;  Shen, JH
收藏  |  浏览/下载:19/0  |  提交时间:2019/01/08


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