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CORC

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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
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
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
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：24/0  |  提交时间：2019/06/20
Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example. 期刊论文
Methods in molecular biology (Clifton, N.J.), 2018, 卷号: 1777
作者:  Qi Ruxi;  Wei Guanghong;  Ma Buyong;  Nussinov Ruth
收藏  |  浏览/下载：14/0  |  提交时间：2019/12/05
Vapor-liquid coexisting morphology of all-atom water model through generalized isothermal isobaric ensemble molecular dynamics simulation 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 期号: 13
作者:  Yin Ling-Kang;  Xu Shun;  Jeong, Seongmin;  Jho, Yongseok;  Wang Jian-Jun
收藏  |  浏览/下载：27/0  |  提交时间：2018/05/25
Determination of the vapor-liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method 期刊论文
Chinese physics b, 2017, 卷号: 26, 期号: 6, 页码: 6
作者:  Zhao, Liang;  Xu, Shun;  Tu, Yu-Song;  Zhou, Xin
收藏  |  浏览/下载：17/0  |  提交时间：2019/05/09
Sampling conformational space of intrinsically disordered proteins in explicit solvent: Comparison between well-tempered ensemble approach and solute tempering method 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2017, 卷号: 72, 页码: 136-147
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying
收藏  |  浏览/下载：31/0  |  提交时间：2017/05/02

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