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CORC

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Discovery, Structure-Activity Relationship, and Mechanistic Studies of 1-((3R,4S)-3-((Dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2-(2,4,5-trifluorophenyl)ethan-1-one as a Novel Potent Analgesic 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 13, 页码: 9458-9483
作者:  Huang, Huoming;  Li, Xueping;  Xie, Peng;  Li, Xinwei;  Xu, XueJun
收藏  |  浏览/下载：28/0  |  提交时间：2021/08/17
Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:  Chen, Li;  Zhao, Shuang;  Zhu, Yanyan;  Liu, Yongsheng;  Li, Huiyu
收藏  |  浏览/下载：26/0  |  提交时间：2021/08/17
Molecular Dynamics Simulations Based on 1-Phenyl-4-Benzoyl-1-Hydro-Triazole ERR alpha Inverse Agonists 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 卷号: 22, 期号: 7, 页码: 14
作者:  Gao, Zhipei;  Du, Yongli;  Sheng, Xiehuang;  Shen, Jingkang
收藏  |  浏览/下载：25/0  |  提交时间：2021/05/24
Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载：18/0  |  提交时间：2021/05/24
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with "short" and "long" inverse agonists 期刊论文
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11
作者:  Yu, Ming-cheng;  Yang, Feng;  Ding, Xiao-yu;  Sun, Nan-nan;  Jiang, Zheng-yuan
收藏  |  浏览/下载：83/0  |  提交时间：2020/12/24
Molecular dynamics simulations reveal the mechanism of the interactions between the inhibitors and SIRT2 at atom level 期刊论文
MOLECULAR SIMULATION, 2020, 卷号: 46, 期号: 8, 页码: 638-649
作者:  Wang, Xiaoyu;  Song, Menghua;  Zhao, Shuang;  Li, Huiyu;  Zhao, Qingjie
收藏  |  浏览/下载：35/0  |  提交时间：2020/07/01
Structural Insight into the Interactions between Structurally Similar Inhibitors and SIRT6 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 卷号: 21, 期号: 7, 页码: 15
作者:  Zhao, Shuang;  Zhu, Yan-Yan;  Wang, Xiao-Yu;  Liu, Yong-Sheng;  Sun, Yun-Xiang
收藏  |  浏览/下载：30/0  |  提交时间：2020/07/01
Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 卷号: 38, 期号: 4, 页码: 975-984
作者:  Xu, Heng;  Tang, Zhengkuan;  Zuo, Yu;  Xiong, Fengmin;  Chen, Kaixian
收藏  |  浏览/下载：39/0  |  提交时间：2020/07/01
Discovery and Biological Evaluation of New Selective Acetylcholinesterase Inhibitors with Anti-A beta Aggregation Activity through Molecular Docking-Based Virtual Screening 期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 2, 页码: 161-166
作者:  Liu, Guangpu;  Jiao, Yang;  Lin, Yongqiang;  Hao, Haifang;  Dou, Yanli
收藏  |  浏览/下载：53/0  |  提交时间：2020/07/01
Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study 期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 26, 页码: 22245-22250
作者:  Peng, Cheng;  Atilaw, Yoseph;  Wang, Jinan;  Xu, Zhijian;  Poongavanam, Vasanthanathan
收藏  |  浏览/下载：23/0  |  提交时间：2020/07/01

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