中国科学院机构知识库网格系统: 检索

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	Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics 期刊论文 OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 37, 页码: 21238-21250 作者: Chen, Jianzhong; Wang, Wei; Pang, Laixue; Zhu, Weiliang \| 收藏 \| 浏览/下载：13/0 \| 提交时间：2020/12/21
	Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文 OAI收割 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：23/0 \| 提交时间：2020/07/01 Sao paolo metallo-beta-lactamase-1 REMD simulations normal mode analysis principal component analysis drug resistance of antibiotics
	Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions 期刊论文 OAI收割 ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 10, 页码: 4303-4318 作者: Chen, Jianzhong; Wang, Jinan; Yin, Baohua; Pang, Laixue \| 收藏 \| 浏览/下载：95/0 \| 提交时间：2020/07/01 beta-amyloid cleaving enzyme binding selectivity MSMD hierarchical clustering analysis MM-GBSA
	Inhibiting mechanism of small molecule toward the p53-MDM2 interaction: A molecular dynamic exploration 期刊论文 OAI收割 CHEMICAL BIOLOGY & DRUG DESIGN, 2018, 卷号: 92, 期号: 4, 页码: 1763-1777 作者: Chen, Jianzhong; Wang, Jinan; Pang, Laixue; Zhu, Weiliang \| 收藏 \| 浏览/下载：40/0 \| 提交时间：2019/01/08 hydrophobic contact scanning MM-GBSA p53-MDM2 interaction principal component analysis solvated interaction energy
	Dynamics revelation of conformational changes and binding modes of heat shock protein 90 induced by inhibitor associations 期刊论文 OAI收割 RSC ADVANCES, 2018, 卷号: 8, 期号: 45, 页码: 25456-25467 作者: Chen, Jianzhong; Wang, Jinan; Lai, Fengbo; Wang, Wei; Pang, Laixue \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2019/01/08