Data di Pubblicazione:
2007
Citazione:
Grid-enabled high throughput virtual screening / Jacq, N; Breton, V; Chen, H. Y.; Ho, L. Y.; Hofmann, M; Lee, H. C.; Legré, Y; Lin, S. C.; Maas, A; Medernach, E; Merelli, I; Milanesi, L; Rastelli, Giulio; Reichstadt, M; Salzemann, J; Schwichtenger, H; Sridhar, M; Kasam, V; Wu, Y. T.; Zimmermann, M.. - STAMPA. - 4360:(2007), pp. 45-59. ( International Workshop on Distributed, High-Performance and Grid Computing in Computational Biology (GCCB 2006) Eilat, isr JAN 21, 2007) [10.1007/978-3-540-69968-2_5].
Abstract:
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.
Tipologia CRIS:
Relazione in Atti di Convegno
Keywords:
grid; virtual screening; malaria; drug design
Elenco autori:
Jacq, N; Breton, V; Chen, H. Y.; Ho, L. Y.; Hofmann, M; Lee, H. C.; Legré, Y; Lin, S. C.; Maas, A; Medernach, E; Merelli, I; Milanesi, L; Rastelli, Giulio; Reichstadt, M; Salzemann, J; Schwichtenger, H; Sridhar, M; Kasam, V; Wu, Y. T.; Zimmermann, M.
Link alla scheda completa:
Titolo del libro:
"Distributed, High-Performance and Grid Computing in Computational Biology", bookseries “Lecture Notes in Computer Science”
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