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CORC

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Graph neural networks for automated de novo drug design 期刊论文
DRUG DISCOVERY TODAY, 2021, 卷号: 26, 期号: 6, 页码: 1382-1393
作者:  Xiong, Jiacheng;  Xiong, Zhaoping;  Chen, Kaixian;  Jiang, Hualiang;  Zheng, Mingyue
收藏  |  浏览/下载：19/0  |  提交时间：2021/08/17
Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16
作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong
收藏  |  浏览/下载：33/0  |  提交时间：2020/12/21
The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex 期刊论文
PROTEIN SCIENCE, 2016, 卷号: 25, 期号: 6, 页码: 1096-1114
作者:  Dym, Orly;  Song, Wanling;  Felder, Clifford;  Roth, Esther;  Shnyrov, Valery
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
Force fields and scoring functions for carbohydrate simulation 期刊论文
CARBOHYDRATE RESEARCH, 2015, 卷号: 401, 页码: 73-81
作者:  Xiong, Xiuming;  Chen, Zhaoqiang;  Cossins, Benjamin P.;  Xu, Zhijian;  Shao, Qiang
收藏  |  浏览/下载：21/0  |  提交时间：2019/01/08
Design, Synthesis, and Structure-Activity Relationship Studies of Novel Fused Heterocycles-Linked Triazoles with Good Activity and Water Solubility 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2014, 卷号: 57, 期号: 9, 页码: 3687-3706
作者:  Cao, Xufeng;  Sun, Zhaoshuan;  Cao, Yongbing;  Wang, Ruilian;  Cai, Tongkai
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists 期刊论文
biosystems, 2014, 卷号: 115, 期号: 1, 页码: 13-22
作者:  Zhang, Lihui;  Liu, Tianjun;  Wang, Xia;  Wang, Jinan;  Li, Guohui
收藏  |  浏览/下载：14/0  |  提交时间：2015/11/16
Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity 期刊论文
current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2246-2258
Zheng XL; Liu ZJ; Li D; Wang EK; Wang J
收藏  |  浏览/下载：19/0  |  提交时间：2014/04/20
Identification of Novel Potential beta-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations 期刊论文
international journal of molecular sciences, 2012, 卷号: 13, 期号: 4, 页码: 4545-4563
作者:  Liu, Jianling;  Liu, Mengmeng;  Yao, Yao;  Wang, Jinan;  Li, Yan
收藏  |  浏览/下载：24/0  |  提交时间：2013/10/11
Tools for GPCR drug discovery 期刊论文
ACTA PHARMACOLOGICA SINICA, 2012, 卷号: 33, 期号: 3, 页码: 372-384
作者:  Zhang, Ru;  Xie, Xin
收藏  |  浏览/下载：15/0  |  提交时间：2019/01/08
The Formation and Stabilization of a Novel G-Quadruplex in the 5 '-Flanking Region of the Relaxin Gene 期刊论文
PLOS ONE, 2012, 卷号: 7, 期号: 2
作者:  Gao, Wei;  Lin, Sen;  Gu, Huiping;  Xu, Ming;  Cui, Xiaojie
收藏  |  浏览/下载：9/0  |  提交时间：2019/06/20

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