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dc.contributor.authorMacindoe, Gary
dc.contributor.authorMavridis, Lazaros
dc.contributor.authorVenkatraman, Vishwesh
dc.contributor.authorDevignes, Marie-Dominique
dc.contributor.authorRitchie, David W.
dc.date.accessioned2013-12-05T12:31:05Z
dc.date.available2013-12-05T12:31:05Z
dc.date.issued2010-07
dc.identifier.citationMacindoe , G , Mavridis , L , Venkatraman , V , Devignes , M-D & Ritchie , D W 2010 , ' HexServer : an FFT-based protein docking server powered by graphics processors ' , Nucleic Acids Research , vol. 38 , no. Suppl 2 , pp. W445-W449 . https://doi.org/10.1093/nar/gkq311en
dc.identifier.issn0305-1048
dc.identifier.otherPURE: 14957456
dc.identifier.otherPURE UUID: 354d6bff-6eec-47f1-b89c-d29430f45026
dc.identifier.otherWOS: 000284148900072
dc.identifier.otherScopus: 77954275738
dc.identifier.urihttp://hdl.handle.net/10023/4271
dc.description.abstractHexServer (http://hexserver.loria.fr/) is the first Fourier transform (FFT)-based protein docking server to be powered by graphics processors. Using two graphics processors simultaneously, a typical 6D docking run takes similar to 15 s, which is up to two orders of magnitude faster than conventional FFT-based docking approaches using comparable resolution and scoring functions. The server requires two protein structures in PDB format to be uploaded, and it produces a ranked list of up to 1000 docking predictions. Knowledge of one or both protein binding sites may be used to focus and shorten the calculation when such information is available. The first 20 predictions may be accessed individually, and a single file of all predicted orientations may be downloaded as a compressed multi-model PDB file. The server is publicly available and does not require any registration or identification by the user.
dc.format.extent5
dc.language.isoeng
dc.relation.ispartofNucleic Acids Researchen
dc.rights© The Author(s) 2010. Published by Oxford University Press. This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.5), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.en
dc.subjectHexServeren
dc.subjectFourier transform (FFT)-based protein docking serveren
dc.subjectGraphics processorsen
dc.titleHexServer : an FFT-based protein docking server powered by graphics processorsen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.identifier.doihttps://doi.org/10.1093/nar/gkq311
dc.description.statusPeer revieweden


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