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Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang
收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01
Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2012, 卷号: 52, 期号: 11, 页码: 3043-3052
作者:  Li, Weihua;  Fu, Jing;  Cheng, Feixiong;  Zheng, Mingyue;  Zhang, Jian
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
Computational Insights into the Mechanism of Ligand Unbinding and Selectivity of Estrogen Receptors 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 卷号: 113, 期号: 30, 页码: 10436-10444
作者:  Shen, Jie;  Li, Weihua;  Liu, Guixia;  Tang, Yun;  Jiang, Hualiang
收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08
A steered molecular dynamics method with adaptive direction on adjustments 期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2009, 卷号: 379, 期号: 2, 页码: 494-498
作者:  Yang, Kun;  Liu, Xinli;  Wang, Xicheng;  Jiang, Hualiang
收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08
Molecular dynamics simulations studies on the structure-function relationship of protein targets related to Alzheimer's disease 期刊论文
Journal of the Graduate School of the Academy of Sciences, 2009, 卷号: 26, 期号: 2, 页码: 280-287
作者:  XU Ye-Chun;  JIANG Hua-Liang
收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08
Dynamic Mechanism of Fatty Acid Transport across Cellular Membranes through FadL: Molecular Dynamics Simulations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 卷号: 112, 期号: 41, 页码: 13070-13078
作者:  Zou, Hanjun;  Zheng, Mingyue;  Luo, Xiaomin;  Zhu, Weiliang;  Chen, Kaixian
收藏  |  浏览/下载：15/0  |  提交时间：2019/01/08
The type IA topoisomerase catalytic cycle: A normal mode analysis and molecular dynamics simulation 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 卷号: 71, 期号: 4, 页码: 1984-1994
作者:  Xiong, Bing;  Burk, David L.;  Shen, Jianhua;  Luo, Xiaomin;  Liu, Hong
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
A steered molecular dynamics method with direction optimization and its applications on ligand molecule dissociation 期刊论文
JOURNAL OF BIOCHEMICAL AND BIOPHYSICAL METHODS, 2008, 卷号: 70, 期号: 6, 页码: 857-864
作者:  Liu, Xinli;  Wang, Xicheng;  Jiang, Huangliang
收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08

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