Large Scale In Silico Screening on Grid Infrastructures
Overview & Synopsis
Large-scale grid infrastructures 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 in silico docking within the framework of the WISDOM initiative against Malaria and Avian Flu requiring about 105 years of CPU on the EGEE, Auvergrid and TWGrid infrastructures. These achievements demonstrated the relevance of large-scale grid infrastructures 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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Document Information
| Document Title | Large Scale In Silico Screening on Grid Infrastructures |
|---|---|
| Author / Organization | N. Jacq, Vincent Breton, H.-Y. Chen, L.-Y. Ho, M. Hofmann, H.-C. Lee, Yannick Legre, S.-C. Lin, A. Maass, E. Medernach, I. Merelli, L. Milanesi, G. Rastelli, Matthieu Reichstadt, J. Salzemann, H. Schwichtenberg, M. Sridhar, V. Kasam, Y.-T. Wu, M. Zimmermann |
| Subject & Discipline | Multidisciplinary Academic Open Research |
| Categories | Science & Mathematics |
| Publication Year | 2006 |
| License / Rights | Open Access / Creative Commons |
| Resource Verification | Listed PDF (Verification Pending) |
| Original Host Website |
HAL Open Science
(hal.science)
|
| File Format | application/pdf (Portable Document Format) |
| Language | EN |
| Catalog ID | DOC-198324 |
| Original Source Link | Visit Source Page on hal.science » |