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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  
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  
Improving the quality of 3D-QSAR by using flexible-ligand receptor models 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2005, 卷号: 45, 期号: 6, 页码: 1920-1933
Authors:  Pei, JF;  Chen, H;  Liu, ZM;  Han, XF;  Wang, Q;  Shen, B;  Zhou, JJ;  Lai, LH
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Gamma-aminobutyric-acid  Binding Free-energy  Pseudoreceptor Models  Surface Models  Construction  Inhibitors  Alignment  4d-qsar  Qsar  Representation