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CORC

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Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 730, 页码: 100-104
作者:  Zhang, Yuxin
收藏  |  浏览/下载：52/0  |  提交时间：2019/12/02
Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 24, 页码: 5048-5058
作者:  Gupta, Rupal;  Zhang, Huilan;  Lu, Manman;  Hou, Guangjin;  Caporini, Marc
收藏  |  浏览/下载：62/0  |  提交时间：2019/12/02
Mediation mechanism of tyrosine 185 on the retinal isomerization equilibrium and the proton release channel in the seven-transmembrane receptor bacteriorhodopsin 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 2016, 卷号: 1857, 期号: 11, 页码: 1786-1795
作者:  Iuga, Dinu;  Ding, Xiaoyan;  Wang, Honglei;  Peng, Bo;  Cui, Haolin
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
Validation of polarizable force field parameters for nucleic acids by inter-molecular interactions 期刊论文
FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING, 2016, 卷号: 10, 期号: 2, 页码: 203-212
作者:  Cao, Liaoran;  Ren, Hong;  Miao, Jing;  Guo, Wei;  Li, Yan
收藏  |  浏览/下载：14/0  |  提交时间：2019/06/20
Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 6, 页码: 2973-2982
作者:  Peng, Xiangda;  Zhang, Yuebin;  Chu, Huiying;  Li, Yan;  Zhang, Dinglin
收藏  |  浏览/下载：19/0  |  提交时间：2019/06/20
Restoring electronic coherence/decoherence for a trajectory-based nonadiabatic molecular dynamics 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6
作者:  Zhu, Chaoyuan
收藏  |  浏览/下载：12/0  |  提交时间：2019/06/20
Entry of water into the distal heme pocket of soluble guanylate cyclase beta 1 H-NOX domain alters the ligated CO structure: a resonance Raman and in silico simulation study 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 49, 页码: 43707-43714
作者:  Zhang, Yuebin;  Chen, Lei;  Xu, Haoran;  Li, Yan;  Li, Chen
收藏  |  浏览/下载：15/0  |  提交时间：2019/06/20
In Silico understanding of the cyclodextrin-phenanthrene hybrid assemblies in both aqueous medium and bacterial membranes 期刊论文
journal of hazardous materials, 2015, 卷号: 285, 页码: 148-156
作者:  Ren, Baiping;  Gao, Huipeng;  Cao, Yafeng;  Jia, Lingyun
收藏  |  浏览/下载：17/0  |  提交时间：2015/11/17
Mechanistic insight into the functional transition of the enzyme guanylate kinase induced by a single mutation 期刊论文
scientific reports, 2015, 卷号: 5
作者:  Zhang, Yuebin;  Niu, Huiyan;  Li, Yan;  Chu, Huiying;  Shen, Hujun
收藏  |  浏览/下载：18/0  |  提交时间：2015/11/17
Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations 期刊论文
journal of chemical theory and computation, 2014, 卷号: 10, 期号: 11, 页码: 5195-5205
作者:  Shen, Hujun;  Li, Guohui
收藏  |  浏览/下载：26/0  |  提交时间：2015/11/16

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