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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Published in | Studies in health technology and informatics Vol. 120; p. 155 |
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Main Authors | , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
Netherlands
2006
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Subjects | |
Online Access | Get more information |
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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. |
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ISSN: | 0926-9630 |