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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:42/0  |  提交时间:2020/07/01
Folded or Degraded in Endoplasmic Reticulum 期刊论文
REGULATION OF CANCER IMMUNE CHECKPOINTS: MOLECULAR AND CELLULAR MECHANISMS AND THERAPY, 2020, 卷号: 1248, 页码: 265-294
作者:  Li, Chushu;  Xia, Bingqing;  Wang, Sheng;  Xu, Jie
收藏  |  浏览/下载:49/0  |  提交时间:2020/12/24
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:12/0  |  提交时间:2020/07/01
Selective enhanced sampling in dihedral energy facilitates overcoming the dihedral energy increase in protein folding and accelerates the searching for protein native structure 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 20, 页码: 10423-10435
作者:  Shao, Qiang;  Yang, Lijiang;  Zhu, Weiliang
收藏  |  浏览/下载:12/0  |  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:8/0  |  提交时间:2019/01/08
Discovery of FS36 as a Novel Human Hsp90 Inhibitor 期刊论文
PROGRESS IN BIOCHEMISTRY AND BIOPHYSICS, 2018, 卷号: 45, 期号: 7, 页码: 736-744
作者:  Li Gen;  Lu Kai-Kai;  Li Jian;  Yin Xiu-Shan;  Zhao Dong
收藏  |  浏览/下载:21/0  |  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:20/0  |  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:11/0  |  提交时间:2019/01/08
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


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