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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