Identifying the Hierarchy of Dynamic Domains in Proteins Using the Data of Molecular Dynamics Simulations

被引:2
|
作者
Yesylevskyy, Semen O. [1 ]
机构
[1] Natl Acad Sci Ukraine, Inst Phys, Dept Phys Biol Syst, UA-03039 Kiev, Ukraine
关键词
Domain identification; dynamic domains; hierarchy of domains; hierarchical domain-wise alignment; molecular dynamics; protein domains; CONFORMATIONAL-CHANGE; RIGID DOMAINS; IDENTIFICATION; MOTIONS; FLUCTUATIONS; RIBONUCLEASE; BINDING; HINGES;
D O I
10.2174/092986610790963636
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The Hierarchical Domain-Wise Alignment (HDWA) technique of domain identification in proteins is presented. HDWA is designed to identify hierarchically organized dynamic domains in proteins using the MD trajectories by eliminating systematic motions from MD trajectories recursively in a model-free manner. The method is tested on the proteins from different structural classes.
引用
收藏
页码:507 / 516
页数:10
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