Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

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第一作者： Jinan,Wang

第一单位： Drug Discovery and Design Center, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences , 555 Zuchongzhi Road, Shanghai, 201203, China.

作者： Jinan,Wang ^[1] ; Qiang,Shao ; Zhijian,Xu ; Yingtao,Liu ; Zhuo,Yang ; Benjamin P,Cossins ; Hualiang,Jiang ; Kaixian,Chen ; Jiye,Shi ; Weiliang,Zhu

作者单位： Drug Discovery and Design Center, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences , 555 Zuchongzhi Road, Shanghai, 201203, China. ^[1]

主题词腺苷酸激酶(Adenylate Kinase);钙调蛋白(Calmodulin);分子动力学模拟(Molecular Dynamics Simulation);蛋白质构象(Protein Conformation);热力学(Thermodynamics);p38丝裂原活化蛋白激酶类(p38 Mitogen-Activated Protein Kinases)

DOI 10.1021/jp4105129

PMID 24350625

发布时间 2014-01-09

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准确一般字义偏差语意偏离译文作用小提交