CORC

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CORC

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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
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
Thermodynamics calculation of protein- ligand interactions by QM/ MM polarizable charge parameters 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2016, 卷号: 34, 期号: 1, 页码: 163-176
作者:  Wang, Jinan;  Shao, Qiang;  Cossins, Benjamin P.;  Shi, Jiye;  Chen, Kaixian
收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08
Probing Sequence Dependence of Folding Pathway of alpha-Helix Bundle Proteins through Free Energy Landscape Analysis 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 22, 页码: 5891-5900
作者:  Shao, Qiang
收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08
How Small Can a Catenane Be? 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 卷号: 10, 期号: 4, 页码: 1511-1517
作者:  Feng, Xuejun;  Gu, Jiande;  Chen, Qun;  Lii, Jenn-Huei;  Allinger, Norman L.
收藏  |  浏览/下载：15/0  |  提交时间：2019/01/08
Binding Competition to the POPG Lipid Bilayer of Ca2+, Mg2+, Na+, and K+ in Different Ion Mixtures and Biological Implication 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 3, 页码: 850-858
作者:  Mao, Yanyan;  Du, Yun;  Cang, Xiaohui;  Wang, Jinan;  Chen, Zhuxi
收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08
Enhanced sampling molecular dynamics simulation captures experimentally suggested intermediate and unfolded states in the folding pathway of Trp-cage miniprotein 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 12
作者:  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载：12/0  |  提交时间：2019/01/08
Enantioselective drug-protein interaction between mexiletine and plasma protein 期刊论文
JOURNAL OF PHARMACY AND PHARMACOLOGY, 2012, 卷号: 64, 期号: 6, 页码: 792-801
作者:  Yu, Lushan;  Hong, Yanjun;  Li, Li;  Jin, Yingxiu;  Zheng, Mingyue
收藏  |  浏览/下载：10/0  |  提交时间：2019/01/08

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