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Large scale grids 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 virtual docking within the framework of the WISDOM
initiative against malaria and avian influenza requiring about 100 years of CPU on the EGEE, Auvergrid and TWGrid
infrastructures. These achievements demonstrated the relevance of large scale grids 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
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