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CORC

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Exploring the structural transition mechanisms of a pair of poly(N-isopropylacrylamide) chains in aqueous solution through coarse-grained molecular simulations coupled with metadynamics 期刊论文
MOLECULAR SIMULATION, 2021, 页码: 10
作者:  Yang, Xue-Dan;  Chen, Wei;  Ren, Ying;  Chu, Liang-Yin
收藏  |  浏览/下载：24/0  |  提交时间：2021/03/29
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
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship 期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15
作者:  Shi, Danfeng;  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Zhou, Shuangyan
收藏  |  浏览/下载：24/0  |  提交时间：2022/01/19
All-atom structure ensembles of islet amyloid polypeptides determined by enhanced sampling and experiment data restraints 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2019, 卷号: 87, 期号: 7, 页码: 541-550
作者:  Su, Xinyue;  Wang, Ke;  Liu, Na;  Chen, Jiawen;  Li, Yong
收藏  |  浏览/下载：72/0  |  提交时间：2019/10/14
Advances in Enhanced Sampling Molecular Dynamics Simulations for Biomolecules 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 页码: 277-286
作者:  Wang, An-hui;  Zhang, Zhi-chao;  Li, Guo-hui
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/02
The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 269, 页码: 298-303
作者:  Liu, Guokui;  Feng, Jin;  Wang, Honglei;  Gao, Fengfeng;  Wei, Yaoyao
收藏  |  浏览/下载：42/0  |  提交时间：2018/12/21
Crystal growth of Ge2Sb2Te5 at high temperatures 期刊论文
MRS Communications, 2018, 卷号: 8, 页码: 1018-1023
作者:  Ronneberger, I.;  Zhang, W.;  Mazzarello, R.
收藏  |  浏览/下载：4/0  |  提交时间：2019/11/26
The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 269, 页码: 298-303
作者:  Liu, Guokui;  Feng, Jin;  Wang, Honglei;  Gao, Fengfeng;  Wei, Yaoyao
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11
乙烯质子化反应机理和动力学模拟 学位论文
2017
作者:  王星航
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/05
Simulation of coupled folding and binding of an intrinsically disordered protein in explicit solvent with metadynamics 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2016, 卷号: 68, 期号: JULY, 页码: 114-127
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying;  Li, Jinghai
收藏  |  浏览/下载：29/0  |  提交时间：2016/11/21

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