CORC

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CORC

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Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 44, 页码: 27381-27387
作者:  Li, Zhe;  Li, Xin;  Huang, Yi-You;  Wu, Yaoxing;  Liu, Runduo
收藏  |  浏览/下载：75/0  |  提交时间：2020/12/24
Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 37, 页码: 21238-21250
作者:  Chen, Jianzhong;  Wang, Wei;  Pang, Laixue;  Zhu, Weiliang
收藏  |  浏览/下载：27/0  |  提交时间：2020/12/21
Live-SIMBA: an ImageJ plug-in for the universal and accelerated single molecule-guided Bayesian localization super resolution microscopy (SIMBA) method 期刊论文
BIOMEDICAL OPTICS EXPRESS, 2020, 卷号: 11, 期号: 10, 页码: 5842-5859
作者:  Li, Hongjia;  Xu, Fan;  Gao, Shan;  Zhang, Mingshu;  Xue, Fudong
收藏  |  浏览/下载：12/0  |  提交时间：2020/12/10
Effect of symmetrical tilt grain boundary on the compatibility between copper and liquid lithium: Atomistic simulations 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 835
作者:  Xu, Chao;  Wei, Jun;  Huang, Bowen;  Meng, Xiancai;  Xiao, Shifang
收藏  |  浏览/下载：48/0  |  提交时间：2020/10/26
Mechanistic in silico modeling of bisphenols to predict estrogen and glucocorticoid disrupting potentials 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 728, 页码: 1-11
作者:  Chen, Qinchang;  Zhou, Chengzhuo;  Shi, Wei;  Wang, Xiaoxiang;  Xia, Pu
收藏  |  浏览/下载：20/0  |  提交时间：2021/09/14
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
Entire crystallization process of Lennard-Jones liquids: A large-scale molecular dynamics study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2020, 卷号: 152, 期号: 5, 页码: 10
作者:  欧阳文泽;  Sun B;  Sun ZW(孙祉伟);  Xu SH(徐升华)
收藏  |  浏览/下载：12/0  |  提交时间：2020/06/15
The East Asian Winter Monsoon Acts as a Major Selective Factor in the Intraspecific Differentiation of Drought-Tolerant Nitraria tangutorum in Northwest China 期刊论文
PLANTS-BASEL, 2020, 卷号: 9, 期号: 9
作者:  Yin, Hengxia;  Wang, Lirong;  Shi, Yong;  Qian, Chaoju;  Zhou, Huakun
收藏  |  浏览/下载：20/0  |  提交时间：2020/11/25

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