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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:28/0  |  提交时间:2017/12/26
Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:8/0  |  提交时间:2019/01/08
Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2017, 卷号: 114, 期号: 26, 页码: 6770-6775
作者:  Liu, Zhu;  Zhang, Wei-Ping;  Tang, Chun;  Dong, Xu;  Gong, Zhou
收藏  |  浏览/下载:29/0  |  提交时间:2017/12/06
Structural Insight into the Stabilizing Effect of O-Glycosylation 期刊论文
BIOCHEMISTRY, 2017, 卷号: 56, 期号: 23, 页码: 2897-2906
作者:  Chaffey, Patrick K.;  Guan, Xiaoyang;  Chen, Chao;  Ruan, Yuan;  Wang, Xinfeng
收藏  |  浏览/下载:30/0  |  提交时间:2017/12/22
Sampling conformational space of intrinsically disordered proteins in explicit solvent: Comparison between well-tempered ensemble approach and solute tempering method 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2017, 卷号: 72, 页码: 136-147
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying
收藏  |  浏览/下载:31/0  |  提交时间:2017/05/02
Determining Protein Folding Pathway and Associated Energetics through Partitioned Integrated-Tempering-Sampling Simulation 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 3, 页码: 1229-1243
作者:  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载:11/0  |  提交时间:2019/01/08
Modeling Protein Excited-state Structures from "Over-length" Chemical Cross-links 期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2017, 卷号: 292, 期号: 4, 页码: 1187-1196
作者:  Ding, Yue-He;  Gong, Zhou;  Dong, Xu;  Liu, Kan;  Liu, Zhu
收藏  |  浏览/下载:23/0  |  提交时间:2017/04/11
Quinary Interactions Weaken the Electric Field Generated by Protein Side-Chain Charges in the Cell-like Environment 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 139, 期号: 2, 页码: 647-654
作者:  Zhang, Ning;  An, Liaoyuan;  Li, Jingwen;  Liu, Zhijun;  Yao, Lishan
收藏  |  浏览/下载:33/0  |  提交时间:2017/03/22
Energetics and structural characterization of the "DFG-flip'' conformational transition of B-RAF kinase: a SITS molecular dynamics study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 2, 页码: 1257-1267
作者:  Shao, Qiang;  Xu, Zhijian;  Wang, Jinan;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载:18/0  |  提交时间:2019/01/08
A salt-bridge switch in the molecular recognition between RS receptor and RGD ligand from the ABEEM sigma pi molecular dynamics simulations 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1045-1055
作者:  Yu, Ling;  Yang, Zhong-Zhi;  Zhang, Chao;  Zhao, Dong-Xia;  Wang, Qian
收藏  |  浏览/下载:18/0  |  提交时间:2019/06/20


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