Grid-enabled high throughput in-silico screening against influenza A neuraminidase
PCSV, présenté par H.-C. Lee, à paraître dans les proceedings Encouraged by the success of first EGEE biomedical data challenge against malaria[1], the second data challenge was kicked off in April, 2006, fighting against avian flu. In the paper, we demonstrated how to adopt a world-wide deployed Gr...
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ftclermontuniv:oai:HAL:in2p3-00114348v1 2024-05-12T08:01:26+00:00 Grid-enabled high throughput in-silico screening against influenza A neuraminidase Lee, H.-C. Salzemann, J. Jacq, N. Ho, L.-Y. Chen, H.-Y. Breton, Vincent Merelli, I. Milanesi, L. C. Lin, S. Wu, Y.-T. 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) Santa Margherita di Pula, Italy 2006-07-10 https://hal.in2p3.fr/in2p3-00114348 https://hal.in2p3.fr/in2p3-00114348/document https://hal.in2p3.fr/in2p3-00114348/file/Nettab2.pdf en eng HAL CCSD in2p3-00114348 https://hal.in2p3.fr/in2p3-00114348 https://hal.in2p3.fr/in2p3-00114348/document https://hal.in2p3.fr/in2p3-00114348/file/Nettab2.pdf info:eu-repo/semantics/OpenAccess NETTAB 2006, Network Tools and Applications in Biology - A series of workshops in Bioinformatics Distributed. Applications, Web Services, Tools and GRID Infrastructures for Bioinformatics https://hal.in2p3.fr/in2p3-00114348 NETTAB 2006, Network Tools and Applications in Biology - A series of workshops in Bioinformatics Distributed. Applications, Web Services, Tools and GRID Infrastructures for Bioinformatics, Jul 2006, Santa Margherita di Pula, Italy Grid computing biological databases grid services web services [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] info:eu-repo/semantics/conferenceObject Conference papers 2006 ftclermontuniv 2024-04-14T23:47:16Z PCSV, présenté par H.-C. Lee, à paraître dans les proceedings Encouraged by the success of first EGEE biomedical data challenge against malaria[1], the second data challenge was kicked off in April, 2006, fighting against avian flu. In the paper, we demonstrated how to adopt a world-wide deployed Grid infrastructure to efficiently produce a large scale virtual screening to speed up the drug design process. The 6-weeks activity of molecular docking on the Grid has covered over 100 years of computing power required for discovering new drug for avian flu. Around 600 Gigabytes of output has also been produced and archived on the Grid for further biological analysis and test. Conference Object Avian flu HAL Clermont Auvergne (Université Blaise Pascal Clermont-Ferrand/Université d'Auvergne) |
institution |
Open Polar |
collection |
HAL Clermont Auvergne (Université Blaise Pascal Clermont-Ferrand/Université d'Auvergne) |
op_collection_id |
ftclermontuniv |
language |
English |
topic |
Grid computing biological databases grid services web services [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] |
spellingShingle |
Grid computing biological databases grid services web services [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] Lee, H.-C. Salzemann, J. Jacq, N. Ho, L.-Y. Chen, H.-Y. Breton, Vincent Merelli, I. Milanesi, L. C. Lin, S. Wu, Y.-T. Grid-enabled high throughput in-silico screening against influenza A neuraminidase |
topic_facet |
Grid computing biological databases grid services web services [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC] |
description |
PCSV, présenté par H.-C. Lee, à paraître dans les proceedings Encouraged by the success of first EGEE biomedical data challenge against malaria[1], the second data challenge was kicked off in April, 2006, fighting against avian flu. In the paper, we demonstrated how to adopt a world-wide deployed Grid infrastructure to efficiently produce a large scale virtual screening to speed up the drug design process. The 6-weeks activity of molecular docking on the Grid has covered over 100 years of computing power required for discovering new drug for avian flu. Around 600 Gigabytes of output has also been produced and archived on the Grid for further biological analysis and test. |
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 |
Lee, H.-C. Salzemann, J. Jacq, N. Ho, L.-Y. Chen, H.-Y. Breton, Vincent Merelli, I. Milanesi, L. C. Lin, S. Wu, Y.-T. |
author_facet |
Lee, H.-C. Salzemann, J. Jacq, N. Ho, L.-Y. Chen, H.-Y. Breton, Vincent Merelli, I. Milanesi, L. C. Lin, S. Wu, Y.-T. |
author_sort |
Lee, H.-C. |
title |
Grid-enabled high throughput in-silico screening against influenza A neuraminidase |
title_short |
Grid-enabled high throughput in-silico screening against influenza A neuraminidase |
title_full |
Grid-enabled high throughput in-silico screening against influenza A neuraminidase |
title_fullStr |
Grid-enabled high throughput in-silico screening against influenza A neuraminidase |
title_full_unstemmed |
Grid-enabled high throughput in-silico screening against influenza A neuraminidase |
title_sort |
grid-enabled high throughput in-silico screening against influenza a neuraminidase |
publisher |
HAL CCSD |
publishDate |
2006 |
url |
https://hal.in2p3.fr/in2p3-00114348 https://hal.in2p3.fr/in2p3-00114348/document https://hal.in2p3.fr/in2p3-00114348/file/Nettab2.pdf |
op_coverage |
Santa Margherita di Pula, Italy |
genre |
Avian flu |
genre_facet |
Avian flu |
op_source |
NETTAB 2006, Network Tools and Applications in Biology - A series of workshops in Bioinformatics Distributed. Applications, Web Services, Tools and GRID Infrastructures for Bioinformatics https://hal.in2p3.fr/in2p3-00114348 NETTAB 2006, Network Tools and Applications in Biology - A series of workshops in Bioinformatics Distributed. Applications, Web Services, Tools and GRID Infrastructures for Bioinformatics, Jul 2006, Santa Margherita di Pula, Italy |
op_relation |
in2p3-00114348 https://hal.in2p3.fr/in2p3-00114348 https://hal.in2p3.fr/in2p3-00114348/document https://hal.in2p3.fr/in2p3-00114348/file/Nettab2.pdf |
op_rights |
info:eu-repo/semantics/OpenAccess |
_version_ |
1798843561521709056 |