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Discovery of a Novel Androgen Receptor Antagonist Manifesting Evidence to Disrupt the Dimerization of the Ligand-Binding Domain via Attenuating the Hydrogen-Bonding Network Between the Two Monomers 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64
作者:  Fu, Weitao;  Zhang, Minkui;  Liao, Jianing;  Tang, Qing;  Lei, Yixuan
收藏  |  浏览/下载:49/0  |  提交时间:2022/03/21
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays 期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 16, 期号: 6, 页码: 416-427
作者:  Hou, Tingjun;  Li, Dan;  Chang, Shan;  Xu, Lei;  Sun, Huiyong
收藏  |  浏览/下载:259/0  |  提交时间:2019/06/24
Approximating dynamic proximity with a hybrid geometry energy-based kernel for diffusion maps 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 11
作者:  Tan, Qingzhe;  Duan, Mojie;  Li, Minghai;  Han, Li;  Huo, Shuanghong
收藏  |  浏览/下载:54/0  |  提交时间:2020/01/14
The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 14, 页码: 13
作者:  Guo, Yue;  Duan, Mojie;  Yang, Minghui
收藏  |  浏览/下载:46/0  |  提交时间:2019/10/14
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
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 2, 页码: 842-857
作者:  Hou, Tingjun;  Li, Youyong;  Yu, Huidong;  Li, Dan;  Liu, Hui
收藏  |  浏览/下载:67/0  |  提交时间:2019/06/24
Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 卷号: 58, 期号: 8, 页码: 1652-1661
作者:  Liu, Na;  Zhou, Wenfang;  Guo, Yue;  Wang, Junmei;  Fu, Weitao
收藏  |  浏览/下载:59/0  |  提交时间:2018/11/05
discoveryofnovelandrogenreceptorligandsbystructurebasedvirtualscreeningandbioassays 期刊论文
genomicsproteomicsbioinformatics, 2018, 卷号: 16, 期号: 6, 页码: 416
作者:  Zhou Wenfang;  Duan Mojie;  Fu Weitao;  Pang Jinping;  Tang Qin
收藏  |  浏览/下载:23/0  |  提交时间:2020/01/14
Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:  Liu, Na;  Yang, Minghui;  Duan, Mojie
收藏  |  浏览/下载:26/0  |  提交时间:2017/12/06
Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:  Liu, Na;  Yang, Minghui;  Duan, Mojie
收藏  |  浏览/下载:19/0  |  提交时间:2017/12/06


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