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CORC

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Electric-Field-Driven Ion Emission from the Free Surface of Room Temperature Ionic Liquids 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 1, 页码: 211-216
作者:  Zhang, Fei;  Jiang XK(蒋玺恺);  Chen, Gaofeng;  He, Yadong;  Hu, Guoqing
收藏  |  浏览/下载：21/0  |  提交时间：2021/03/30
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：22/0  |  提交时间：2021/05/24
Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation 期刊论文
BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018
作者:  Wang, Jinan;  Peng, Cheng;  Yu, Yuqu;  Chen, Zhaoqiang;  Xu, Zhijian
收藏  |  浏览/下载：42/0  |  提交时间：2020/07/01
Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Wang, Wei;  Zhao, Juan
收藏  |  浏览/下载：47/0  |  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
Norepinephrine Inhibits Alzheimer's Amyloid-beta Peptide Aggregation and Destabilizes Amyloid-beta Protofibrils: A Molecular Dynamics Simulation Study 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 3
作者:  Qian, Zhenyu;  Chen, Yujie;  Qian, Hongsheng;  Zhang, Qingwen;  Wei, Guanghong
收藏  |  浏览/下载：29/0  |  提交时间：2019/12/05
Advances in Enhanced Sampling Molecular Dynamics Simulations for Biomolecules 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 页码: 277-286
作者:  Wang, An-hui;  Zhang, Zhi-chao;  Li, Guo-hui
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/02
Norepinephrine Inhibits Alzheimer's Amyloid-β Peptide Aggregation and Destabilizes Amyloid-β Protofibrils: A Molecular Dynamics Simulation Study 期刊论文
ACS chemical neuroscience, 2019, 卷号: 10
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收藏  |  浏览/下载：12/0  |  提交时间：2019/04/19
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:  Chen, Jianzhong;  Peng, Cheng;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：59/0  |  提交时间：2019/01/08
Integrating Multiple Accelerated Molecular Dynamics To Improve Accuracy of Free Energy Calculations 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 3, 页码: 1216-1227
作者:  Peng, Xiangda;  Zhang, Yuebin;  Li, Yan;  Liu, QingLong;  Chu, Huiying
收藏  |  浏览/下载：26/0  |  提交时间：2019/06/20

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