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Distal mutation V486M disrupts the catalytic activity of DPP4 by affecting the flap of the propeller domain 期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 9
作者:  Li, Teng-teng;  Peng, Cheng;  Wang, Ji-qiu;  Xu, Zhi-jian;  Su, Ming-bo
收藏  |  浏览/下载:42/0  |  提交时间:2022/01/18
Structural insights into the activation of human calcium-sensing receptor 期刊论文
ELIFE, 2021, 卷号: 10, 页码: 24
作者:  Chen, Xiaochen;  Wang, Lu;  Cui, Qianqian;  Ding, Zhanyu;  Han, Li
收藏  |  浏览/下载:66/0  |  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
Reexamining the role of intercrystalline links in the II-I phase transition of Poly(1-butene) 期刊论文
POLYMER, 2021, 卷号: 224
作者:  Li, Xiangyang;  Chen, Pujing;  Xu, Min;  Ding, Jianjun;  Zheng, Kang
收藏  |  浏览/下载:71/0  |  提交时间:2021/06/15
Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载:18/0  |  提交时间:2021/05/24
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488
作者:  Peng, Cheng;  Zhu, Zhengdan;  Shi, Yulong;  Wang, Xiaoyu;  Mu, Kaijie
收藏  |  浏览/下载:29/0  |  提交时间:2021/05/24
Conformational disorder of organic cations tunes the charge carrier mobility in two-dimensional organic-inorganic perovskites 期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11
作者:  Li, Chuanzhao;  Yang, Jin;  Su, Fuhai;  Tan, Junjun;  Luo, Yi
收藏  |  浏览/下载:24/0  |  提交时间:2020/12/28
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
Investigating the effect of mono- and multivalent counterions on the conformation of poly(styrenesulfonic acid) by nanopores 期刊论文
ELECTROPHORESIS, 2019, 卷号: 40, 期号: 16-17, 页码: 2180-2185
作者:  Zhao, Yating;  Liu, Lei;  Tu, Yingfeng;  Wu, Hai-Chen
收藏  |  浏览/下载:45/0  |  提交时间:2019/09/30
A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载:38/0  |  提交时间:2019/06/20


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