{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T14:26:59Z","timestamp":1777386419529,"version":"3.51.4"},"reference-count":15,"publisher":"Oxford University Press (OUP)","issue":"16","license":[{"start":{"date-parts":[[2016,10,2]],"date-time":"2016-10-02T00:00:00Z","timestamp":1475366400000},"content-version":"vor","delay-in-days":1215,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2013,8,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Motivation: 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.<\/jats:p>\n               <jats:p>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.<\/jats:p>\n               <jats:p>Contact: \u00a0alessandro.pandini@kcl.ac.uk or jkleinj@nimr.mrc.ac.uk<\/jats:p>\n               <jats:p>Supplementary information: \u00a0Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/btt326","type":"journal-article","created":{"date-parts":[[2013,6,6]],"date-time":"2013-06-06T00:44:12Z","timestamp":1370479452000},"page":"2053-2055","source":"Crossref","is-referenced-by-count":46,"title":["GSATools: analysis of allosteric communication and functional local motions using a structural alphabet"],"prefix":"10.1093","volume":"29","author":[{"given":"Alessandro","family":"Pandini","sequence":"first","affiliation":[{"name":"1 Randall Division of Cell and Molecular Biophysics, King\u2019s College London, London SE1 1UL, 2The Thomas Young Centre for Theory and Simulation of Materials, London WC2R 2LS and 3Division of Mathematical Biology, MRC National Institute for Medical Research, London NW7 1AA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Arianna","family":"Fornili","sequence":"additional","affiliation":[{"name":"1 Randall Division of Cell and Molecular Biophysics, King\u2019s College London, London SE1 1UL, 2The Thomas Young Centre for Theory and Simulation of Materials, London WC2R 2LS and 3Division of Mathematical Biology, MRC National Institute for Medical Research, London NW7 1AA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Franca","family":"Fraternali","sequence":"additional","affiliation":[{"name":"1 Randall Division of Cell and Molecular Biophysics, King\u2019s College London, London SE1 1UL, 2The Thomas Young Centre for Theory and Simulation of Materials, London WC2R 2LS and 3Division of Mathematical Biology, MRC National Institute for Medical Research, London NW7 1AA, UK"},{"name":"1 Randall Division of Cell and Molecular Biophysics, King\u2019s College London, London SE1 1UL, 2The Thomas Young Centre for Theory and Simulation of Materials, London WC2R 2LS and 3Division of Mathematical Biology, MRC National Institute for Medical Research, London NW7 1AA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jens","family":"Kleinjung","sequence":"additional","affiliation":[{"name":"1 Randall Division of Cell and Molecular Biophysics, King\u2019s College London, London SE1 1UL, 2The Thomas Young Centre for Theory and Simulation of Materials, London WC2R 2LS and 3Division of Mathematical Biology, MRC National Institute for Medical Research, London NW7 1AA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2013,6,5]]},"reference":[{"key":"2023020305301513700_btt326-B1","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1002\/prot.340170408","article-title":"Essential dynamics of proteins","volume":"17","author":"Amadei","year":"1993","journal-title":"Proteins"},{"key":"2023020305301513700_btt326-B2","doi-asserted-by":"crossref","first-page":"738","DOI":"10.1021\/ct3007265","article-title":"Specific conformational states of Ras GTPase upon effector binding","volume":"9","author":"Baussand","year":"2012","journal-title":"J. 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