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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：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
Selective enhanced sampling in dihedral energy facilitates overcoming the dihedral energy increase in protein folding and accelerates the searching for protein native structure 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 20, 页码: 10423-10435
作者:  Shao, Qiang;  Yang, Lijiang;  Zhu, Weiliang
收藏  |  浏览/下载：12/0  |  提交时间：2020/07/01
The effects of implicit modeling of nonpolar solvation on protein folding simulations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 27, 页码: 18410-18419
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：8/0  |  提交时间：2019/01/08
The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled Receptor 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 5, 页码: 2761-2770
作者:  Yuan, Xiaojing;  Raniolo, Stefano;  Limongelli, Vittorio;  Xu, Yechun
收藏  |  浏览/下载：24/0  |  提交时间：2019/01/08
Assessing AMBER force fields for protein folding in an implicit solvent 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 10, 页码: 7206-7216
作者:  Shao, Oiang;  Zhu, Weiliang
收藏  |  浏览/下载：21/0  |  提交时间：2019/01/08
Conformation and dynamics of the C-terminal region in human phosphoglycerate mutase 1 期刊论文
ACTA PHARMACOLOGICA SINICA, 2017, 卷号: 38, 期号: 12, 页码: 1673-1682
作者:  Liu, Shi-en;  Hu, Jun-chi;  Zhang, Hao;  Xu, Pan;  Wan, Wei
收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08
Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：6/0  |  提交时间：2019/01/08
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
Determining Protein Folding Pathway and Associated Energetics through Partitioned Integrated-Tempering-Sampling Simulation 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 3, 页码: 1229-1243
作者:  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载：10/0  |  提交时间：2019/01/08

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