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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:261/0  |  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
Femtosecond real-time probing of the excited-state intramolecular proton transfer reaction in methyl salicylate 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 9, 页码: 7
作者:  Ling, Fengzi;  Liu, Dejun;  Li, Shuai;  Li, Wei;  Zhang, Bing
收藏  |  浏览/下载:76/0  |  提交时间:2019/12/06
Metal Active Sites and Their Catalytic Functions in Zeolites: Insights from Solid-State NMR Spectroscopy 期刊论文
ACCOUNTS OF CHEMICAL RESEARCH, 2019, 卷号: 52, 期号: 8, 页码: 2179-2189
作者:  Xu, Jun;  Wang, Qiang;  Deng, Feng
收藏  |  浏览/下载:52/0  |  提交时间:2019/12/06
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:73/0  |  提交时间:2019/10/14
Tomographic Extraction of the Internuclear Separation Based on Two-Center Interference with Aligned Diatomic Molecules 期刊论文
PHYSICAL REVIEW LETTERS, 2019, 卷号: 122, 期号: 19, 页码: 6
作者:  Liu, XiaoJun;  Quan, Wei;  Xu, SongPo;  Wang, YanLan;  Yu, ShaoGang
收藏  |  浏览/下载:50/0  |  提交时间:2019/06/24
Structural Basis for the Inhibition of the Autophosphorylation Activity of HK853 by Luteolin 期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 5, 页码: 11
作者:  Jiang, Ling;  Liu, Yixiang;  Liu, Maili;  Li, Conggang;  Luo, Liang
收藏  |  浏览/下载:52/0  |  提交时间:2019/06/24
Mapping the dynamics of methanol and xenon co- adsorption in SWNTs by in situ continuous- flow hyperpolarized 129Xe NMR+ 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 6, 页码: 3287-3293
作者:  Bao, Xinhe;  Liu, Xianchun;  Han, Xiuwen;  Zhang, Weiping;  Zheng, Anmin
收藏  |  浏览/下载:44/0  |  提交时间:2019/06/24
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:70/0  |  提交时间:2019/06/24


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