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CORC

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Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
作者:  Wang, Anhui;  Li, Guohui;  Zhang, Zhichao
收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20
Higher accuracy achieved in the simulations of protein structure refinement, protein folding, and intrinsically disordered proteins using polarizable force fields 期刊论文
Journal of physical chemistry letters, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
作者:  Wang, Anhui;  Zhang, Zhichao;  Li, Guohui
收藏  |  浏览/下载：43/0  |  提交时间：2019/05/08
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：26/0  |  提交时间：2019/06/20
A salt-bridge switch in the molecular recognition between RS receptor and RGD ligand from the ABEEM sigma pi molecular dynamics simulations 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1045-1055
作者:  Yu, Ling;  Yang, Zhong-Zhi;  Zhang, Chao
收藏  |  浏览/下载：18/0  |  提交时间：2019/06/20
Samsara Parallel: A Non-BSP Parallel-in-Time Model 期刊论文
ACM SIGPLAN NOTICES, 2016, 卷号: 51, 期号: 8, 页码: 401-402
作者:  Wang, Bei;  Cui, Xiang;  Chen, Yifeng;  Huang, Kun;  Li, Guohui
收藏  |  浏览/下载：10/0  |  提交时间：2019/06/20
Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique 期刊论文
CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 1
作者:  Wu, Tianmin;  Wang, Tianjun;  Chen, Xian;  Fang, Bin;  Zhang, Ruiting
收藏  |  浏览/下载：29/0  |  提交时间：2019/06/20
Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model 期刊论文
advance in structural bioinformatics, 2015, 卷号: 827, 页码: 93-110
作者:  Wu, Xue;  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Fu, Ting
收藏  |  浏览/下载：41/0  |  提交时间：2015/11/17
Discriminating trpzip2 and trpzip4 peptides' folding landscape using the two-dimensional infrared spectroscopy: A simulation study 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 5
作者:  Wu, Tianmin;  Zhang, Ruiting;  Li, Huanhuan;  Yang, Lijiang;  Zhuang, Wei
收藏  |  浏览/下载：30/0  |  提交时间：2015/11/17
Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials 期刊论文
journal of chemical theory and computation, 2014, 卷号: 10, 期号: 2, 页码: 731-750
作者:  Shen, Hujun;  Li, Yan;  Ren, Pengyu;  Zhang, Dinglin;  Li, Guohui
收藏  |  浏览/下载：19/0  |  提交时间：2015/11/16
Mechanical stability and thermal conductivity of beta-barrel in green fluorescent protein by steered molecular dynamics 期刊论文
rsc advances, 2014, 卷号: 4, 期号: 13, 页码: 6513-6516
作者:  Cheng, Chang-Li;  Zhang, Ming-Zhen;  Zhao, Guang-Jiu
收藏  |  浏览/下载：15/0  |  提交时间：2015/11/17

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