Thorough validation of protein normal mode analysis:: A comparative study with essential dynamics

被引：133

作者：

Rueda, Manuel

Chacon, Pablo

Orozco, Modesto

机构：

[1] Inst Recerca Biomed, Mol Modeling & Bioinformat Unit, Barcelona 08028, Spain

[2] Inst Nacl Bioinformat, Struct Bioinformat Unit, Barcelona 08028, Spain

[3] Univ Barcelona, Fac Biol, Dept Bioquim & Biol Mol, Barcelona 08028, Spain

[4] Ctr Invest Biol, Madrid 28040, Spain

[5] Barcelona Supercomp Ctr, Computat Biol Program, Barcelona 08028, Spain

来源：

STRUCTURE | 2007年 / 15卷 / 05期

关键词：

D O I：

10.1016/j.str.2007.03.013

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 deformation patterns of a large set of representative proteins determined by essential dynamics extracted from atomistic simulations and coarse-grained normal mode analysis are compared. Our analysis shows that the deformational space obtained with both approaches is quite similar when taking into account a representative number of modes. The results provide not only a comprehensive validation of the use of a low-frequency modal spectrum to describe protein flexibility, but also a complete picture of normal mode limitations.

引用

页码：565 / 575

页数：11

共 67 条

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