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CORC

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Approximating dynamic proximity with a hybrid geometry energy-based kernel for diffusion maps 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 11
作者:  Tan, Qingzhe;  Duan, Mojie;  Li, Minghai;  Han, Li;  Huo, Shuanghong
收藏  |  浏览/下载：54/0  |  提交时间：2020/01/14
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：25/0  |  提交时间：2019/06/20
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
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：8/0  |  提交时间：2019/01/08
Smoothing potential energy surface of proteins by hybrid coarse grained approach 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 5, 页码: 50202
作者:  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.;  Lu, YK;  Zhou, X;  OuYang, ZC
收藏  |  浏览/下载：21/0  |  提交时间：2017/12/21
Significantly Improved Protein Folding Thermodynamics Using a Dispersion-Corrected Water Model and a New Residue-Specific Force Field 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017
Wu, Hao-Nan; Jiang, Fan; Wu, Yun-Dong
收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03
Mechanism of Phosphorylation-Induced Folding of 4E-BP2 Revealed by Molecular Dynamics Simulations 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017
Zeng, Juan; Jiang, Fan; Wu, Yun-Doug
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
应用ＡＢＥＥＭσπ 方法估算含有羟基的分子的ｐＫ值 期刊论文
辽宁师范大学学报(自然科学版), 2017, 卷号: 第40卷, 页码: 52-57
作者:  赵东霞;  马悦;  赵健
收藏  |  浏览/下载：14/0  |  提交时间：2019/03/04
Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015
Zhou, Chen-Yang; Jiang, Fan; Wu, Yun-Dong
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Computational study of folding thermodynamics and mechanism of Trp-cage mutants with RSFF2 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015
Zhou, Chen-Yang; Jiang, Fan; Wu, Yun-Dong
收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03

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