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Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening 期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 7, 页码: 14
作者:  Zhou, Qingtong;  Guo, Wanjing;  Dai, Antao;  Cai, Xiaoqing;  Vass, Marton
收藏  |  浏览/下载:45/0  |  提交时间:2021/08/17
Underestimated Noncovalent Interactions in Protein Data Bank 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 8, 页码: 3389-3399
作者:  Xu, Zhijian;  Zhang, Qian;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载:6/0  |  提交时间:2020/07/01
Computational insights into the subtype selectivity and "message-address-efficacy" mechanisms of opioid receptors through JDTic binding and unbinding 期刊论文
ACTA PHARMACOLOGICA SINICA, 2018, 卷号: 39, 期号: 3, 页码: 482-491
作者:  Cheng, Jian-xin;  Cheng, Tao;  Li, Wei-hua;  Liu, Gui-xia;  Zhu, Wei-liang
收藏  |  浏览/下载:15/0  |  提交时间:2019/01/08
Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model 期刊论文
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2016, 卷号: 45, 期号: 6, 页码: 511-521
作者:  Liu, Hanqi;  Yang, Linlin;  Zhang, Qiansen;  Mao, Lingxue;  Jiang, Hualiang
收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08
Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation 期刊论文
SCIENTIFIC REPORTS, 2015, 卷号: 5
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhang, Qinggang;  Chen, Kaixian;  Zhu, Weiliang
收藏  |  浏览/下载:20/0  |  提交时间:2019/01/08
Folding or Misfolding: The Choice of beta-Hairpin 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 10, 页码: 3893-3900
作者:  Shao, Qiang
收藏  |  浏览/下载:12/0  |  提交时间:2019/01/08
Important roles of hydrophobic interactions in folding and charge interactions in misfolding of alpha-helix bundle protein 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 6, 页码: 4191-4199
作者:  Shao, Qiang
收藏  |  浏览/下载:10/0  |  提交时间:2019/01/08
Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation 期刊论文
PLOS ONE, 2014, 卷号: 9, 期号: 6
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
The universality of beta-hairpin misfolding indicated by molecular dynamics simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 139, 期号: 16
作者:  Shao, Qiang;  Wang, Jinan;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载:11/0  |  提交时间:2019/01/08
Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A 期刊论文
PLOS ONE, 2013, 卷号: 8, 期号: 3
作者:  Mirza, I. Ahmad;  Burk, David L.;  Xiong, Bing;  Iwaki, Hiroaki;  Hasegawa, Yoshie
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08


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