PiSQRD: a web server for decomposing proteins into quasi-rigid dynamical domains

被引：40

作者：

Aleksiev, T. ^{[1
,2
]}

Potestio, R. ^{[1
,2
]}

Pontiggia, F. ^{[1
,2
]}

Cozzini, S. ^{[1
,2
,3
]}

Micheletti, C. ^{[1
,2
,3
,4
]}

机构：

[1] Scuola Int Super Studi Avanzati, I-34151 Trieste, Italy

[2] Elab, I-34151 Trieste, Italy

[3] Democritos Simulat Ctr, CNR, INFM, I-34151 Trieste, Italy

[4] Italian Inst Technol, Genoa, Italy

来源：

BIOINFORMATICS | 2009年 / 25卷 / 20期

关键词：

MOLECULAR-DYNAMICS; MOTIONS; MODEL;

D O I：

10.1093/bioinformatics/btp512

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The PiSQRD web resource can be used to subdivide protein structures in quasi-rigid dynamical domains. The latter are groups of amino acids behaving as approximately rigid units in the course of protein equilibrium fluctuations. The PiSQRD server takes as input a biomolecular structure and the desired fraction of protein internal fluctuations that must be accounted for by the relative rigid-body motion of the dynamical domains. Next, the lowest energy modes of fluctuation of the protein (optionally provided by the user) are calculated and used to identify the rigid subunits. The resulting optimal subdivision is returned through a web page containing both interactive graphics and detailed data output.

引用

页码：2743 / 2744

页数：2

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