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CORC

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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
Roles of 8-ring and 12-ring channels in mordenite for carbonylation reaction: From the perspective of molecular adsorption and diffusion 期刊论文
JOURNAL OF CATALYSIS, 2019, 卷号: 369, 页码: 335-344
作者:  Zheng, Anmin;  Huang, Ling;  Li, Guangchao;  Tang, Xiaomin;  Wang, Guiru
收藏  |  浏览/下载：30/0  |  提交时间：2019/06/24
Theory and practice of using solvent paramagnetic relaxation enhancement to characterize protein conformational dynamics 期刊论文
METHODS, 2018, 卷号: 148, 页码: 48-56
作者:  Gong, Zhou;  Schwieters, Charles D.;  Tang, Chun
收藏  |  浏览/下载：18/0  |  提交时间：2018/11/05
Effect of the Flexible Regions of the Oncoprotein Mouse Double Minute X on Inhibitor Binding Affinity 期刊论文
BIOCHEMISTRY, 2017, 卷号: 56, 期号: 44, 页码: 5943-5954
作者:  Chen, Yao;  Huang, Yongqi;  Qin, Lingyun;  Su, Zhengding;  Liu, Huili
收藏  |  浏览/下载：27/0  |  提交时间：2017/12/26
Influence of cation on the cellulose dissolution investigated by MD simulation and experiments 期刊论文
CELLULOSE, 2017, 卷号: 24, 期号: 11, 页码: 4641-4651
作者:  Zhang, Lina;  Lyu, Kangjie;  Wang, Sen;  Sun, Peng;  Lu, Ang
收藏  |  浏览/下载：28/0  |  提交时间：2017/12/26
Diffusion Dependence of the Dual-Cycle Mechanism for MTO Reaction Inside ZSM-12 and ZSM-22 Zeolites 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 41, 页码: 22872-22882
作者:  Huang, Ling;  Li, Guangchao;  Chu, Yueying;  Liu, Zhigiang;  Yi, Xianfeng
收藏  |  浏览/下载：24/0  |  提交时间：2017/12/26
Diffusion Dependence of the Dual-Cycle Mechanism for MTO Reaction Inside ZSM-12 and ZSM-22 Zeolites 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 41, 页码: 22872-22882
作者:  Yi, Xianfeng;  Liu, Zhigiang;  Chu, Yueying;  Tang, Xiaomin;  Huang, Ling
收藏  |  浏览/下载：17/0  |  提交时间：2017/12/26

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