Demonstration of in silico docking at a large scale on grid infrastructure

WISDOM stands for World-wide In Silico Docking On Malaria. First step toward enabling the in silico drug discovery pipeline on a grid infrastructure, this CPU consuming application generating large data flows was deployed successfully on EGEE, the largest grid infrastructure in the world, during the...

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Bibliographic Details
Published inStudies in health technology and informatics Vol. 120; p. 155
Main Authors Jacq, Nicolas, Salzemann, Jean, Legre, Yannick, Reichstadt, Matthieu, Jacq, Florence, Zimmermann, Marc, Maass, Astrid, Sridhar, Mahendrakar, Vinod-Kusam, Kasam, Schwichtenberg, Horst, Hofmann, Martin, Breton, Vincent
Format Journal Article
LanguageEnglish
Published Netherlands 2006
Subjects
Europe
Humans
Malaria - drug therapy
Medical Informatics - organization & administration
Pharmaceutical Preparations
Software
Europe
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Summary:WISDOM stands for World-wide In Silico Docking On Malaria. First step toward enabling the in silico drug discovery pipeline on a grid infrastructure, this CPU consuming application generating large data flows was deployed successfully on EGEE, the largest grid infrastructure in the world, during the summer 2005. 46 million docking scores were computed in 6 weeks. The proposed demonstration presents the submission of in silico docking jobs at a large scale on the grid. The demonstration will use the new middleware stack gLite developed within the EGEE project.
ISSN:0926-9630