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CORC

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Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design 期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 15
作者:  Lu, Shaoyong;  He, Xinheng;  Yang, Zhao;  Chai, Zongtao;  Zhou, Shuhua
收藏  |  浏览/下载：36/0  |  提交时间：2021/11/04
Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:  Chen, Li;  Zhao, Shuang;  Zhu, Yanyan;  Liu, Yongsheng;  Li, Huiyu
收藏  |  浏览/下载：29/0  |  提交时间：2021/08/17
Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Wang, Wei;  Zhao, Juan
收藏  |  浏览/下载：47/0  |  提交时间：2020/07/01
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:  Chen, Jianzhong;  Peng, Cheng;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：59/0  |  提交时间：2019/01/08
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
Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 44, 页码: 30239-30248
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
重组别藻蓝蛋白三聚体结构与功能 期刊论文
科学通报, 2017, 卷号: 62, 期号: 16, 页码: 1699-1713
作者:  李文军;  蒲洋;  牛壮;  薛春岭;  秦松
收藏  |  浏览/下载：85/0  |  提交时间：2020/07/07
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：10/0  |  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
Structural insightsinto HIV-1 protease flap opening processes and key intermediates 期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 71, 页码: 45121-45128
作者:  Yu, Yuqi;  Wang, Jinan;  Chen, Zhaoqiang;  Wang, Guimin;  Shao, Qiang
收藏  |  浏览/下载：15/0  |  提交时间：2019/01/08

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