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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：24/0  |  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：46/0  |  提交时间：2020/07/01
Nonnative contact effects in protein folding 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 22, 页码: 11924-11936
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：14/0  |  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：9/0  |  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：25/0  |  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：23/0  |  提交时间：2019/01/08
How Well Can Implicit Solvent Simulations Explore Folding Pathways? A Quantitative Analysis of alpha-Helix Bundle Proteins 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 12, 页码: 6177-6190
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：12/0  |  提交时间：2019/01/08
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：11/0  |  提交时间：2019/01/08
Energetics and structural characterization of the "DFG-flip'' conformational transition of B-RAF kinase: a SITS molecular dynamics study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 2, 页码: 1257-1267
作者:  Shao, Qiang;  Xu, Zhijian;  Wang, Jinan;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 42, 页码: 29170-29182
作者:  Shao, Qiang
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08

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