Grid-enabled high throughput in-silico screening against influenza A neuraminidase
Identifieur interne : 000242 ( France/Analysis ); précédent : 000241; suivant : 000243Grid-enabled high throughput in-silico screening against influenza A neuraminidase
Auteurs : H.-C. Lee ; J. Salzemann [France] ; N. Jacq [France] ; L.-Y. Ho ; H.-Y. Chen ; Vincent Breton [France] ; I. Merelli ; L. Milanesi ; S. C. Lin ; Y.-T. WuSource :
English descriptors
Abstract
Encouraged by the success of first EGEE biomedical data challenge against malaria[1], the second data challenge was kicked off in April, 2006, fighting against avian flu. In the paper, we demonstrated how to adopt a world-wide deployed Grid infrastructure to efficiently produce a large scale virtual screening to speed up the drug design process. The 6-weeks activity of molecular docking on the Grid has covered over 100 years of computing power required for discovering new drug for avian flu. Around 600 Gigabytes of output has also been produced and archived on the Grid for further biological analysis and test.
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Affiliations:
Links toward previous steps (curation, corpus...)
- to stream Hal, to step Corpus: 000121
- to stream Hal, to step Curation: 000121
- to stream Hal, to step Checkpoint: 000323
- to stream Main, to step Merge: 001476
- to stream Main, to step Curation: 001457
- to stream Main, to step Exploration: 001457
- to stream France, to step Extraction: 000242
Links to Exploration step
Hal:in2p3-00114348Le document en format XML
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<front><div type="abstract" xml:lang="en"> <p>Encouraged by the success of first EGEE biomedical data challenge against malaria[1], the second data challenge was kicked off in April, 2006, fighting against avian flu. In the paper, we demonstrated how to adopt a world-wide deployed Grid infrastructure to efficiently produce a large scale virtual screening to speed up the drug design process. The 6-weeks activity of molecular docking on the Grid has covered over 100 years of computing power required for discovering new drug for avian flu. Around 600 Gigabytes of output has also been produced and archived on the Grid for further biological analysis and test.</p>
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