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CORC

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D3DistalMutation: a Database to Explore the Effect of Distal Mutations on Enzyme Activity 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 卷号: 61, 期号: 5, 页码: 2499-2508
作者:  Wang, Xiaoyu;  Zhang, Xinben;  Peng, Cheng;  Shi, Yulong;  Li, Huiyu
收藏  |  浏览/下载：14/0  |  提交时间：2021/08/17
Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:  Abula, Amina;  Xu, Zhijian;  Zhu, Zhengdan;  Peng, Cheng;  Chen, Zhaoqiang
收藏  |  浏览/下载：26/0  |  提交时间：2021/05/24
Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods 期刊论文
CURRENT PHARMACEUTICAL DESIGN, 2020, 卷号: 26, 期号: 33, 页码: 4195-4205
作者:  Ding, Xiaoyu;  Cui, Chen;  Wang, Dingyan;  Zhao, Jihui;  Zheng, Mingyue
收藏  |  浏览/下载：16/0  |  提交时间：2020/12/21
Host-guest kinetic interactions between HP-beta-cyclodextrin and drugs for prediction of bitter taste masking 期刊论文
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2017, 卷号: 140, 页码: 232-238
作者:  Guo, Zhen;  Wu, Fei;  Singh, Vikramjeet;  Guo, Tao;  Ren, Xiaohong
收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08
Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms 期刊论文
SCIENTIFIC REPORTS, 2015, 卷号: 5
作者:  Xu, Yuan;  Liu, Xian;  Wang, Yulan;  Zhou, Nannan;  Peng, Jianlong
收藏  |  浏览/下载：21/0  |  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;  Jiang, Hualiang;  Wang, Xicheng
收藏  |  浏览/下载：21/0  |  提交时间：2019/01/08
Halogen Bond: Its Role beyond Drug-Target Binding Affinity for Drug Discovery and Development 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 1, 页码: 69-78
作者:  Xu, Zhijian;  Yang, Zhuo;  Liu, Yingtao;  Lu, Yunxiang;  Chen, Kaixian
收藏  |  浏览/下载：12/0  |  提交时间：2019/01/08
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 11, 页码: 5015-5030
作者:  Liu, Yingtao;  Xu, Zhijian;  Yang, Zhuo;  Chen, Kaixian;  Zhu, Weiliang
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
CoMFA, CoMSIA and HQSAR Studies of Acetylcholinesterase Inhibitors 期刊论文
CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 卷号: 9, 期号: 3, 页码: 385-395
作者:  Jiang, Yu-Ren;  Yang, Yan-Yan;  Chen, Yu-Ling;  Liang, Zhong-Jie
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
In silico Prediction of Chemical Ames Mutagenicity 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2012, 卷号: 52, 期号: 11, 页码: 2840-2847
作者:  Xu, Congying;  Cheng, Feixiong;  Chen, Lei;  Du, Zheng;  Li, Weihua
收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08

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