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VORFFIP-driven dock: V-D2OCK, a fast and accurate protein docking strategy.

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dc.contributor.author Segura, Joan
dc.contributor.author Marín López, Manuel Alejandro, 1987-
dc.contributor.author Jones, Pamela F.
dc.contributor.author Oliva Miguel, Baldomero
dc.contributor.author Fernández Fuentes, Narcís
dc.date.accessioned 2015-05-22T07:28:39Z
dc.date.available 2015-05-22T07:28:39Z
dc.date.issued 2015
dc.identifier.citation Segura J, Marín-López MA, Jones PF,Oliva B, Fernandez-Fuentes N (2015) VORFFIP-Driven Dock: V-D2OCK, a Fast and Accurate ProteinDocking Strategy. PLoS ONE. 2015;10(3):e0118107. DOI: 10.1371/journal.pone.0118107
dc.identifier.issn 1932-6203
dc.identifier.uri http://hdl.handle.net/10230/23611
dc.description.abstract The experimental determination of the structure of protein complexes cannot keep pace with the generation of interactomic data, hence resulting in an ever-expanding gap. As the structural details of protein complexes are central to a full understanding of the function and dynamics of the cell machinery, alternative strategies are needed to circumvent the bottleneck in structure determination. Computational protein docking is a valid and valuable approach to model the structure of protein complexes. In this work, we describe a novel computational strategy to predict the structure of protein complexes based on data-driven docking: VORFFIP-driven dock (V-D2OCK). This new approach makes use of our newly described method to predict functional sites in protein structures, VORFFIP, to define the region to be sampled during docking and structural clustering to reduce the number of models to be examined by users. V-D2OCK has been benchmarked using a validated and diverse set of protein complexes and compared to a state-of-art docking method. The speed and accuracy compared to contemporary tools justifies the potential use of VD2OCK for high-throughput, genome-wide, protein docking. Finally, we have developed a web interface that allows users to browser and visualize V-D2OCK predictions from the convenience of their web-browsers.
dc.description.sponsorship This work was supported by Research Councils UK (RCUK) under the RCUK Academic Fellowship program (NFF) and a PhD scholarship awarded by the University of Leeds (JS). BO acknowledges support from the Spanish Ministry ofEconomy and Competitiveness; grant number BIO2011-22568 and MAML a PhD scholarship awarded by the Generalitat of Catalonia (FI-DGR2012).
dc.format.mimetype application/pdf
dc.language.iso eng
dc.publisher Public Library of Science
dc.relation.ispartof PLoS ONE. 2015;10(3):e0118107
dc.rights © 2015 Segura et al. This is an openaccess article distributed under the terms of the http://creativecommons.org/licenses/by/4.0/, which permitsunrestricted use, distribution, and reproduction in anymedium, provided the original author and source arecredited
dc.rights.uri http://creativecommons.org/licenses/by/4.0/
dc.subject.other Proteïnes portadores
dc.title VORFFIP-driven dock: V-D2OCK, a fast and accurate protein docking strategy.
dc.type info:eu-repo/semantics/article
dc.identifier.doi http://dx.doi.org/10.1371/journal.pone.0118107
dc.relation.projectID info:eu-repo/grantAgreement/ES/3PN/BIO2011-22568
dc.rights.accessRights info:eu-repo/semantics/openAccess
dc.type.version info:eu-repo/semantics/publishedVersion

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