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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
Authors:  Han, Mengzhi;  Xu, Ji;  Ren, Ying
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Intrinsically Disordered Protein  Well-tempered Ensemble  Replica Exchange With Solute Tempering  Free Energy Surface  Molecular Dynamics  
Compromise in competition between free energy and binding effect of intrinsically disordered protein p53 C-terminal domain 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 2, 页码: 110-120
Authors:  Han, Mengzhi;  Xu, Ji;  Ren, Ying
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Tumour Suppressor P53  Multiple Mechanisms  Dynamic Structures  Compromise In Competition  Free Energy Landscape  Molecular Dynamics  
Simulation of coupled folding and binding of an intrinsically disordered protein in explicit solvent with metadynamics 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2016, 卷号: 68, 期号: JULY, 页码: 114-127
Authors:  Han, Mengzhi;  Xu, Ji;  Ren, Ying;  Li, Jinghai
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Measles Virus Nucleoprotein  Intrinsically Disordered Protein  Coupled Folding And Binding  Molecular Dynamics  Metadynamics  Free Energy Surface  
蛋白质结构变化的多尺度模拟及控制机制分析 学位论文
, 北京: 中国科学院研究生院, 2016
Authors:  韩孟之
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控制机制  固有无序蛋白  分子动力学  增强取样  图形处理器  
Simulations of flow induced structural transition of the beta-switch region of glycoprotein Ib alpha 期刊论文
BIOPHYSICAL CHEMISTRY, 2016, 卷号: 209, 期号: FEB, 页码: 9-20
Authors:  Han, Mengzhi;  Xu, Ji;  Ren, Ying;  Li, Jinghai
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Glycoprotein Ib Alpha  Protein Conformational Transition  Metadynamics  Free Energy Landscape  Molecular Dynamics  
驱动蛋白结构与运动机制 期刊论文
中国生物化学与分子生物学报, 2016, 期号: 7, 页码: "734-744"
Authors:  曹添亮;  韩孟之;  徐骥;  任瑛
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驱动蛋白  分子马达  微管  分子动力学模拟  控制机制