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Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2020, 卷号: 11, 期号: 4, 页码: 628-637
作者:  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Liu, Hongli;  Zhang, Qianqian
收藏  |  浏览/下载:21/0  |  提交时间:2022/01/18
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


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