MODE-TASK: large-scale protein motion tools

被引：39

作者：

Ross, Caroline ^{[1
]}

Nizami, Bilal ^{[1
,3
]}

Glenister, Michael ^{[1
]}

Amamuddy, Olivier Sheik ^{[1
]}

Atilgan, Ali Rana ^{[2
]}

Atilgan, Canan ^{[2
]}

Bishop, Ozlem Tastan ^{[1
]}

机构：

[1] Rhodes Univ, Dept Biochem & Microbiol, Res Unit Bioinformat RUBi, ZA-6140 Grahamstown, South Africa

[2] Sabanci Univ, Fac Engn & Nat Sci, TR-34956 Tuzla, Turkey

[3] Hungarian Acad Sci, Res Ctr Nat Sci, Inst Mat & Environm Chem, Magyar Tudosok Korutja 2, H-1117 Budapest, Hungary

来源：

BIOINFORMATICS | 2018年 / 34卷 / 21期

基金：

新加坡国家研究基金会; 美国国家卫生研究院;

关键词：

FREQUENCY NORMAL-MODES; DYNAMICS;

D O I：

10.1093/bioinformatics/bty427

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

MODE-TASK, a novel and versatile software suite, comprises Principal Component Analysis, Multidimensional Scaling, and t-Distributed Stochastic Neighbor Embedding techniques using Molecular Dynamics trajectories. MODE-TASK also includes a Normal Mode Analysis tool based on Anisotropic Network Model so as to provide a variety of ways to analyse and compare large-scale motions of protein complexes for which long MD simulations are prohibitive. Beside the command line function, a GUI has been developed as a PyMOL plugin.

引用

收藏

页码：3759 / 3763

页数：5

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