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CORC

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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
Effectively explore metastable states of proteins by adaptive nonequilibrium driving simulations 期刊论文
Physical review e, 2017, 卷号: 95, 期号: 3, 页码: 10
作者:  Wan, Biao;  Xu, Shun;  Zhou, Xin
收藏  |  浏览/下载：21/0  |  提交时间：2019/05/09
Sampling conformational space of intrinsically disordered proteins in explicit solvent: Comparison between well-tempered ensemble approach and solute tempering method 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2017, 卷号: 72, 页码: 136-147
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying
收藏  |  浏览/下载：31/0  |  提交时间：2017/05/02
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：11/0  |  提交时间：2019/01/08
Energetics and structural characterization of the "DFG-flip'' conformational transition of B-RAF kinase: a SITS molecular dynamics study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 2, 页码: 1257-1267
作者:  Shao, Qiang;  Xu, Zhijian;  Wang, Jinan;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 68, 期号: 1, 页码: 137-148
作者:  Song, YS;  Zhou, X;  Zheng, WM;  Wang, YT;  Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
收藏  |  浏览/下载：55/0  |  提交时间：2017/12/21
Molecular motions and free-energy landscape of serine proteinase K in relation to its cold-adaptation: a comparative molecular dynamics simulation study and the underlying mechanisms 期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 46
作者:  Sang, Peng;  Du, Xing;  Yang, Li-Quan;  Meng, Zhao-Hui;  Liu, Shu-Qun
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/04
Computing Optimal Interfacial Structure of Modulated Phases 其他
2017-01-01
Xu, Jie; Wang, Chu; Shi, An-Chang; Zhang, Pingwen
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Extended elastic model for flow of metallic glasses 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 期号: 17, 页码: 176102
作者:  Wang Jun-Qiang;  Ouyang Su
收藏  |  浏览/下载：12/0  |  提交时间：2017/12/25
Compromise in competition between free energy and binding effect of intrinsically disordered protein p53 C-terminal domain 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 2, 页码: 110-120
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying
收藏  |  浏览/下载：32/0  |  提交时间：2017/03/24

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