Please use this identifier to cite or link to this item: http://buratest.brunel.ac.uk/handle/2438/9780
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dc.contributor.authorPandini, A-
dc.contributor.authorFornili, A-
dc.contributor.authorFraternali, F-
dc.contributor.authorKleinjung, J-
dc.date.accessioned2015-01-16T14:39:04Z-
dc.date.available2013-08-15-
dc.date.available2015-01-16T14:39:04Z-
dc.date.issued2013-
dc.identifier.citationBioinformatics, 29:16, pp. 2053 - 2055, 2013en_US
dc.identifier.issn1367-4803-
dc.identifier.urihttp://bioinformatics.oxfordjournals.org/content/29/16/2053-
dc.identifier.urihttp://bura.brunel.ac.uk/handle/2438/9780-
dc.description.abstractMotivation: 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 critical for global functional motions. These analyses provide insights into the dynamics of proteins and allow for targeted design of functional mutants in theoretical and experimental studies. Availability: The C source code of the GSATools, along with a set of pre-compiled binaries, is freely available under GNU General Public License from http://mathbio.nimr.mrc.ac.uk/wiki/GSATools. Contact: alessandro.pandini@kcl. ac.uk or jkleinj@nimr.mrc.ac.uk Supplementary information: Supplementary data are available at Bioinformatics online. © 2013 The Author 2013. Published by Oxford University Press.en_US
dc.languageeng-
dc.language.isoenen_US
dc.subjectGSAToolsen_US
dc.subjectConformational ensemblesen_US
dc.subjectFunctional motions in proteinsen_US
dc.subjectStructural alphabeten_US
dc.titleGSATools: Analysis of allosteric communication and functional local motions using a structural alphabeten_US
dc.typeArticleen_US
dc.identifier.doihttp://dx.doi.org/10.1093/bioinformatics/btt326-
dc.relation.isPartOfBioinformatics-
dc.relation.isPartOfBioinformatics-
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