Grid-enabled high-throughput in silico screening against influenza A neuraminidase.
IEEE Trans Nanobioscience
; 5(4): 288-95, 2006 Dec.
Article
in En
| MEDLINE
| ID: mdl-17181029
ABSTRACT
Encouraged by the success of the first EGEE biomedical data challenge against malaria (WISDOM), the second data challenge battling avian flu was kicked off in April 2006 to identify new drugs for the potential variants of the influenza A virus. Mobilizing thousands of CPUs on the Grid, the six-week-long high-throughput screening activity has fulfilled over 100 CPU years of computing power and produced around 600 gigabytes of results on the Grid for further biological analysis and testing. In the paper, we demonstrate the impact of a worldwide Grid infrastructure to efficiently deploy large-scale virtual screening to speed up the drug design process. Lessons learned through the data challenge activity are also discussed.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Influenza A virus
/
Drug Design
/
Internet
/
Sequence Analysis, Protein
/
Drug Evaluation, Preclinical
/
Enzyme Inhibitors
/
Neuraminidase
Type of study:
Diagnostic_studies
/
Screening_studies
Language:
En
Journal:
IEEE Trans Nanobioscience
Journal subject:
BIOTECNOLOGIA
Year:
2006
Document type:
Article