HAL : in2p3-00114085, version 1

arXiv : cs.DC/0611084

Fiche détaillée

Récupérer au format BibTeX - EndNote - TEI - RefWorks -

The Third International Life Science Grid Workshop, LSGrid 2006, Yokohama : Japon (2006)

Large Scale In Silico Screening on Grid Infrastructures

N. Jacq1, V. Breton1, H.-Y. Chen, L.-Y. Ho, M. Hofmann, H.-C. Lee, Y. Legré1, S.-C. Lin, A. Maass, E. Medernach, I. Merelli, L. Milanesi, G. Rastelli, M. Reichstadt1, J. Salzemann1, H. Schwichtenberg, M. Sridhar, V. Kasam1, Y.-T. Wu, M. Zimmermann

(2006)

Large-scale grid infrastructures for in silico drug discovery open opportunities of particular interest to neglected and emerging diseases. In 2005 and 2006, we have been able to deploy large scale in silico docking within the framework of the WISDOM initiative against Malaria and Avian Flu requiring about 105 years of CPU on the EGEE, Auvergrid and TWGrid infrastructures. These achievements demonstrated the relevance of large-scale grid infrastructures for the virtual screening by molecular docking. This also allowed evaluating the performances of the grid infrastructures and to identify specific issues raised by large-scale deployment.

1 :	LPC-CLERMONT - Laboratoire de Physique Corpusculaire de Clermont-Ferrand

Thème(s)

:

Informatique/Calcul parallèle, distribué et partagé Informatique/Bio-informatique

Mot(s)-clé(s) : grid infrastructures – large scale in silico screening – Malaria – avian flu

in2p3-00114085, version 1

http://hal.in2p3.fr/in2p3-00114085

oai:hal.in2p3.fr:in2p3-00114085

Contributeur : Jeanine Pellet <>

Déposé pour le compte de : Nicolas Jacq <>

Soumis le : Mercredi 15 Novembre 2006, 14:51:03

Dernière modification le : Vendredi 17 Novembre 2006, 11:27:24