Large Scale In Silico Screening on Grid Infrastructures
14 pages, 2 figures, 2 tables, The Third International Life Science Grid Workshop, LSGrid 2006, Yokohama, Japan, 13-14 october 2006, to appear in the proceedings - PCSV, présenté par N. Jacq à paraître dans les proceedings Large-scale grid infrastructures for in silico drug discovery open opportunit...
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ftccsdartic:oai:HAL:in2p3-00114085v1 2023-05-15T15:34:17+02:00 Large Scale In Silico Screening on Grid Infrastructures Jacq, N. BRETON, Vincent Chen, H.-Y. Ho, L.-Y. Hofmann, M. Lee, H.-C. Legre, Yannick Lin, S.-C. Maass, A. Medernach, E. Merelli, I. Milanesi, L. Rastelli, G. Reichstadt, M. Salzemann, J. Schwichtenberg, H. Sridhar, M. Kasam, V. Wu, Y.-T. Zimmermann, M. Laboratoire de Physique Corpusculaire - Clermont-Ferrand (LPC) Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS) Yokohama, Japan 2006-10-13 http://hal.in2p3.fr/in2p3-00114085 http://hal.in2p3.fr/in2p3-00114085/document http://hal.in2p3.fr/in2p3-00114085/file/Japan.pdf en eng HAL CCSD info:eu-repo/semantics/altIdentifier/arxiv/cs.DC/0611084 in2p3-00114085 http://hal.in2p3.fr/in2p3-00114085 http://hal.in2p3.fr/in2p3-00114085/document http://hal.in2p3.fr/in2p3-00114085/file/Japan.pdf ARXIV: cs.DC/0611084 info:eu-repo/semantics/OpenAccess The Third International Life Science Grid Workshop, LSGrid 2006 http://hal.in2p3.fr/in2p3-00114085 The Third International Life Science Grid Workshop, LSGrid 2006, Oct 2006, Yokohama, Japan grid infrastructures large scale in silico screening Malaria avian flu [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] info:eu-repo/semantics/conferenceObject Conference papers 2006 ftccsdartic 2021-12-19T04:24:52Z 14 pages, 2 figures, 2 tables, The Third International Life Science Grid Workshop, LSGrid 2006, Yokohama, Japan, 13-14 october 2006, to appear in the proceedings - PCSV, présenté par N. Jacq à paraître dans les proceedings 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. Conference Object Avian flu Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) |
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collection |
Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) |
op_collection_id |
ftccsdartic |
language |
English |
topic |
grid infrastructures large scale in silico screening Malaria avian flu [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] |
spellingShingle |
grid infrastructures large scale in silico screening Malaria avian flu [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] Jacq, N. BRETON, Vincent Chen, H.-Y. Ho, L.-Y. Hofmann, M. Lee, H.-C. Legre, Yannick Lin, S.-C. Maass, A. Medernach, E. Merelli, I. Milanesi, L. Rastelli, G. Reichstadt, M. Salzemann, J. Schwichtenberg, H. Sridhar, M. Kasam, V. Wu, Y.-T. Zimmermann, M. Large Scale In Silico Screening on Grid Infrastructures |
topic_facet |
grid infrastructures large scale in silico screening Malaria avian flu [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] |
description |
14 pages, 2 figures, 2 tables, The Third International Life Science Grid Workshop, LSGrid 2006, Yokohama, Japan, 13-14 october 2006, to appear in the proceedings - PCSV, présenté par N. Jacq à paraître dans les proceedings 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. |
author2 |
Laboratoire de Physique Corpusculaire - Clermont-Ferrand (LPC) Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS) |
format |
Conference Object |
author |
Jacq, N. BRETON, Vincent Chen, H.-Y. Ho, L.-Y. Hofmann, M. Lee, H.-C. Legre, Yannick Lin, S.-C. Maass, A. Medernach, E. Merelli, I. Milanesi, L. Rastelli, G. Reichstadt, M. Salzemann, J. Schwichtenberg, H. Sridhar, M. Kasam, V. Wu, Y.-T. Zimmermann, M. |
author_facet |
Jacq, N. BRETON, Vincent Chen, H.-Y. Ho, L.-Y. Hofmann, M. Lee, H.-C. Legre, Yannick Lin, S.-C. Maass, A. Medernach, E. Merelli, I. Milanesi, L. Rastelli, G. Reichstadt, M. Salzemann, J. Schwichtenberg, H. Sridhar, M. Kasam, V. Wu, Y.-T. Zimmermann, M. |
author_sort |
Jacq, N. |
title |
Large Scale In Silico Screening on Grid Infrastructures |
title_short |
Large Scale In Silico Screening on Grid Infrastructures |
title_full |
Large Scale In Silico Screening on Grid Infrastructures |
title_fullStr |
Large Scale In Silico Screening on Grid Infrastructures |
title_full_unstemmed |
Large Scale In Silico Screening on Grid Infrastructures |
title_sort |
large scale in silico screening on grid infrastructures |
publisher |
HAL CCSD |
publishDate |
2006 |
url |
http://hal.in2p3.fr/in2p3-00114085 http://hal.in2p3.fr/in2p3-00114085/document http://hal.in2p3.fr/in2p3-00114085/file/Japan.pdf |
op_coverage |
Yokohama, Japan |
genre |
Avian flu |
genre_facet |
Avian flu |
op_source |
The Third International Life Science Grid Workshop, LSGrid 2006 http://hal.in2p3.fr/in2p3-00114085 The Third International Life Science Grid Workshop, LSGrid 2006, Oct 2006, Yokohama, Japan |
op_relation |
info:eu-repo/semantics/altIdentifier/arxiv/cs.DC/0611084 in2p3-00114085 http://hal.in2p3.fr/in2p3-00114085 http://hal.in2p3.fr/in2p3-00114085/document http://hal.in2p3.fr/in2p3-00114085/file/Japan.pdf ARXIV: cs.DC/0611084 |
op_rights |
info:eu-repo/semantics/OpenAccess |
_version_ |
1766364731564621824 |