GSATools: analysis of allosteric communication and functional local motions using a structural alphabet.
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ABSTRACT:
SUBMITTER: Pandini A
PROVIDER: S-EPMC3722520 | biostudies-other | 2013 Aug
REPOSITORIES: biostudies-other
Publications
GSATools: analysis of allosteric communication and functional local motions using a structural alphabet.
Pandini Alessandro A Fornili Arianna A Fraternali Franca F Kleinjung Jens J
Bioinformatics (Oxford, England) 20130605 16
<h4>Motivation</h4>GSATools is a free software package to analyze conformational ensembles and to detect functional motions in proteins by means of a structural alphabet. The software integrates with the widely used GROMACS simulation package and can generate a range of graphical outputs. Three applications can be supported: (i) investigation of the conformational variability of local structures; (ii) detection of allosteric communication; and (iii) identification of local regions that are criti ...[more]
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