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Conformational polymorphs of isotretinoin and their impact on physicochemical and biological properties 期刊论文
INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2021, 卷号: 610, 页码: 10
作者:  Cheng, Yinxiang;  Rong, Xiaoyi;  Xia, Mengyuan;  Zhang, Zaiyong;  Wang, Jian-Rong
收藏  |  浏览/下载:73/0  |  提交时间:2022/01/04
Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein through Molecular Dynamics Simulation 期刊论文
ADVANCED THEORY AND SIMULATIONS, 2021, 页码: 13
作者:  Li, Yao;  Wang, Tong;  Zhang, Juanrong;  Shao, Bin;  Gong, Haipeng
收藏  |  浏览/下载:50/0  |  提交时间:2021/11/04
Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design 期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 15
作者:  Lu, Shaoyong;  He, Xinheng;  Yang, Zhao;  Chai, Zongtao;  Zhou, Shuhua
收藏  |  浏览/下载:35/0  |  提交时间:2021/11/04
Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:  Chen, Li;  Zhao, Shuang;  Zhu, Yanyan;  Liu, Yongsheng;  Li, Huiyu
收藏  |  浏览/下载:26/0  |  提交时间:2021/08/17
Discovery of an Inhibitor for the TREK-1 Channel Targeting an Intermediate Transition State of Channel Gating 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 19, 页码: 10972-10983
作者:  Ma, Yuqin;  Luo, Qichao;  Fu, Jie;  Che, Yanxin;  Guo, Fei
收藏  |  浏览/下载:11/0  |  提交时间:2021/05/24
Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Wang, Wei;  Zhao, Juan
收藏  |  浏览/下载:47/0  |  提交时间:2020/07/01
Stoichiometric Ratio on Phase Transformation in Reaction Sintering of BiFeO3 Ceramics Study: a High Temperature X-ray Diffraction Study 期刊论文
JOURNAL OF INORGANIC MATERIALS, 2019, 卷号: 34, 期号: 10, 页码: 1035-1040
作者:  Cheng Guo-Feng;  Ruan Yin-Jie;  Sun Yue;  Yin Han-Di;  Xie Qi-Yun
收藏  |  浏览/下载:7/0  |  提交时间:2020/07/01
Tetrahedral coordination and low-spin configuration in a 5d oxide 期刊论文
PHYSICAL REVIEW MATERIALS, 2019, 卷号: 3, 期号: 6, 页码: 9
作者:  Zhao, Q.;  Sim, J-H;  Zhang, Z.;  Su, H.;  Han, F.
收藏  |  浏览/下载:8/0  |  提交时间:2020/07/01
Nonnative contact effects in protein folding 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 22, 页码: 11924-11936
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:12/0  |  提交时间:2020/07/01
The inhibitory mechanism of aurintricarboxylic acid targeting serine/threonine phosphatase Stp1 in Staphylococcus aureus: insights from molecular dynamics simulations 期刊论文
ACTA PHARMACOLOGICA SINICA, 2019, 卷号: 40, 期号: 6, 页码: 850-858
作者:  Liu, Ting-ting;  Yang, Teng;  Gao, Mei-na;  Chen, Kai-xian;  Yang, Song
收藏  |  浏览/下载:10/0  |  提交时间:2020/07/01


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