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中国科学院过程工程研究所机构知识库
Knowledge Management System Of Institute of process engineering,CAS
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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
Adobe PDF(3623Kb)
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View/Download:128/0
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Submit date:2017/05/02
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
Adobe PDF(7249Kb)
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View/Download:151/0
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Submit date:2017/03/24
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
Adobe PDF(4764Kb)
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Submit date:2016/11/21
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
Adobe PDF(6201Kb)
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Submit date:2017/09/08
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
Adobe PDF(2977Kb)
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View/Download:133/0
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Submit date:2016/04/14
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
Adobe PDF(1160Kb)
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Submit date:2017/05/31
驱动蛋白
分子马达
微管
分子动力学模拟
控制机制