Fiche publication
Date publication
juillet 2010
Auteurs
Membres identifiés du Cancéropôle Est :
Dr DEVIGNES Marie-Dominique
Tous les auteurs :
Macindoe G, Mavridis L, Venkatraman V, Devignes MD, Ritchie DW
Lien Pubmed
Résumé
HexServer (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 approximately 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.
Référence
Nucleic Acids Res. 2010 Jul 1;38 Suppl:W445-9
