Serveur d'exploration H2N2

Attention, ce site est en cours de développement !
Attention, site généré par des moyens informatiques à partir de corpus bruts.
Les informations ne sont donc pas validées.

Grid-enabled high throughput in-silico screening against influenza A neuraminidase

Identifieur interne : 000242 ( France/Analysis ); précédent : 000241; suivant : 000243

Grid-enabled high throughput in-silico screening against influenza A neuraminidase

Auteurs : H.-C. Lee ; J. Salzemann [France] ; N. Jacq [France] ; L.-Y. Ho ; H.-Y. Chen ; Vincent Breton [France] ; I. Merelli ; L. Milanesi ; S. C. Lin ; Y.-T. Wu

Source :

RBID : Hal:in2p3-00114348

English descriptors

Abstract

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.


Url:


Affiliations:


Links toward previous steps (curation, corpus...)


Links to Exploration step

Hal:in2p3-00114348

Le document en format XML

<record>
<TEI>
<teiHeader>
<fileDesc>
<titleStmt>
<title xml:lang="en">Grid-enabled high throughput in-silico screening against influenza A neuraminidase</title>
<author>
<name sortKey="Lee, H C" sort="Lee, H C" uniqKey="Lee H" first="H.-C." last="Lee">H.-C. Lee</name>
</author>
<author>
<name sortKey="Salzemann, J" sort="Salzemann, J" uniqKey="Salzemann J" first="J." last="Salzemann">J. Salzemann</name>
<affiliation wicri:level="1">
<hal:affiliation type="laboratory" xml:id="struct-131" status="OLD">
<orgName>Laboratoire de Physique Corpusculaire - Clermont-Ferrand</orgName>
<orgName type="acronym">LPC</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>Campus des Cézeaux / 24 avenue des Landais / BP 80026 / 63171 Aubière Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://clrwww.in2p3.fr/</ref>
</desc>
<listRelation>
<relation active="#struct-205618" type="direct"></relation>
<relation active="#struct-300046" type="direct"></relation>
<relation name="UMR6533" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles>
<tutelle active="#struct-205618" type="direct">
<org type="institution" xml:id="struct-205618" status="OLD">
<orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
<orgName type="acronym">UBP</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-bpclermont.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-300046" type="direct">
<org type="institution" xml:id="struct-300046" status="VALID">
<orgName>Institut National de Physique Nucléaire et de Physique des Particules du CNRS</orgName>
<orgName type="acronym">IN2P3</orgName>
<desc>
<address>
<country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
<tutelle name="UMR6533" active="#struct-441569" type="direct">
<org type="institution" xml:id="struct-441569" status="VALID">
<idno type="IdRef">02636817X</idno>
<idno type="ISNI">0000000122597504</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc>
<address>
<country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
<author>
<name sortKey="Jacq, N" sort="Jacq, N" uniqKey="Jacq N" first="N." last="Jacq">N. Jacq</name>
<affiliation wicri:level="1">
<hal:affiliation type="laboratory" xml:id="struct-131" status="OLD">
<orgName>Laboratoire de Physique Corpusculaire - Clermont-Ferrand</orgName>
<orgName type="acronym">LPC</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>Campus des Cézeaux / 24 avenue des Landais / BP 80026 / 63171 Aubière Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://clrwww.in2p3.fr/</ref>
</desc>
<listRelation>
<relation active="#struct-205618" type="direct"></relation>
<relation active="#struct-300046" type="direct"></relation>
<relation name="UMR6533" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles>
<tutelle active="#struct-205618" type="direct">
<org type="institution" xml:id="struct-205618" status="OLD">
<orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
<orgName type="acronym">UBP</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-bpclermont.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-300046" type="direct">
<org type="institution" xml:id="struct-300046" status="VALID">
<orgName>Institut National de Physique Nucléaire et de Physique des Particules du CNRS</orgName>
<orgName type="acronym">IN2P3</orgName>
<desc>
<address>
<country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
<tutelle name="UMR6533" active="#struct-441569" type="direct">
<org type="institution" xml:id="struct-441569" status="VALID">
<idno type="IdRef">02636817X</idno>
<idno type="ISNI">0000000122597504</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc>
<address>
<country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
<author>
<name sortKey="Ho, L Y" sort="Ho, L Y" uniqKey="Ho L" first="L.-Y." last="Ho">L.-Y. Ho</name>
</author>
<author>
<name sortKey="Chen, H Y" sort="Chen, H Y" uniqKey="Chen H" first="H.-Y." last="Chen">H.-Y. Chen</name>
</author>
<author>
<name sortKey="Breton, Vincent" sort="Breton, Vincent" uniqKey="Breton V" first="Vincent" last="Breton">Vincent Breton</name>
<affiliation wicri:level="1">
<hal:affiliation type="laboratory" xml:id="struct-131" status="OLD">
<orgName>Laboratoire de Physique Corpusculaire - Clermont-Ferrand</orgName>
<orgName type="acronym">LPC</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>Campus des Cézeaux / 24 avenue des Landais / BP 80026 / 63171 Aubière Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://clrwww.in2p3.fr/</ref>
</desc>
<listRelation>
<relation active="#struct-205618" type="direct"></relation>
<relation active="#struct-300046" type="direct"></relation>
<relation name="UMR6533" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles>
<tutelle active="#struct-205618" type="direct">
<org type="institution" xml:id="struct-205618" status="OLD">
<orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
<orgName type="acronym">UBP</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-bpclermont.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-300046" type="direct">
<org type="institution" xml:id="struct-300046" status="VALID">
<orgName>Institut National de Physique Nucléaire et de Physique des Particules du CNRS</orgName>
<orgName type="acronym">IN2P3</orgName>
<desc>
<address>
<country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
<tutelle name="UMR6533" active="#struct-441569" type="direct">
<org type="institution" xml:id="struct-441569" status="VALID">
<idno type="IdRef">02636817X</idno>
<idno type="ISNI">0000000122597504</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc>
<address>
<country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
<author>
<name sortKey="Merelli, I" sort="Merelli, I" uniqKey="Merelli I" first="I." last="Merelli">I. Merelli</name>
</author>
<author>
<name sortKey="Milanesi, L" sort="Milanesi, L" uniqKey="Milanesi L" first="L." last="Milanesi">L. Milanesi</name>
</author>
<author>
<name sortKey="C Lin, S" sort="C Lin, S" uniqKey="C Lin S" first="S." last="C. Lin">S. C. Lin</name>
</author>
<author>
<name sortKey="Wu, Y T" sort="Wu, Y T" uniqKey="Wu Y" first="Y.-T." last="Wu">Y.-T. Wu</name>
</author>
</titleStmt>
<publicationStmt>
<idno type="wicri:source">HAL</idno>
<idno type="RBID">Hal:in2p3-00114348</idno>
<idno type="halId">in2p3-00114348</idno>
<idno type="halUri">http://hal.in2p3.fr/in2p3-00114348</idno>
<idno type="url">http://hal.in2p3.fr/in2p3-00114348</idno>
<date when="2006-07-10">2006-07-10</date>
<idno type="wicri:Area/Hal/Corpus">000121</idno>
<idno type="wicri:Area/Hal/Curation">000121</idno>
<idno type="wicri:Area/Hal/Checkpoint">000323</idno>
<idno type="wicri:explorRef" wicri:stream="Hal" wicri:step="Checkpoint">000323</idno>
<idno type="wicri:Area/Main/Merge">001476</idno>
<idno type="wicri:Area/Main/Curation">001457</idno>
<idno type="wicri:Area/Main/Exploration">001457</idno>
<idno type="wicri:Area/France/Extraction">000242</idno>
</publicationStmt>
<sourceDesc>
<biblStruct>
<analytic>
<title xml:lang="en">Grid-enabled high throughput in-silico screening against influenza A neuraminidase</title>
<author>
<name sortKey="Lee, H C" sort="Lee, H C" uniqKey="Lee H" first="H.-C." last="Lee">H.-C. Lee</name>
</author>
<author>
<name sortKey="Salzemann, J" sort="Salzemann, J" uniqKey="Salzemann J" first="J." last="Salzemann">J. Salzemann</name>
<affiliation wicri:level="1">
<hal:affiliation type="laboratory" xml:id="struct-131" status="OLD">
<orgName>Laboratoire de Physique Corpusculaire - Clermont-Ferrand</orgName>
<orgName type="acronym">LPC</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>Campus des Cézeaux / 24 avenue des Landais / BP 80026 / 63171 Aubière Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://clrwww.in2p3.fr/</ref>
</desc>
<listRelation>
<relation active="#struct-205618" type="direct"></relation>
<relation active="#struct-300046" type="direct"></relation>
<relation name="UMR6533" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles>
<tutelle active="#struct-205618" type="direct">
<org type="institution" xml:id="struct-205618" status="OLD">
<orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
<orgName type="acronym">UBP</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-bpclermont.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-300046" type="direct">
<org type="institution" xml:id="struct-300046" status="VALID">
<orgName>Institut National de Physique Nucléaire et de Physique des Particules du CNRS</orgName>
<orgName type="acronym">IN2P3</orgName>
<desc>
<address>
<country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
<tutelle name="UMR6533" active="#struct-441569" type="direct">
<org type="institution" xml:id="struct-441569" status="VALID">
<idno type="IdRef">02636817X</idno>
<idno type="ISNI">0000000122597504</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc>
<address>
<country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
<author>
<name sortKey="Jacq, N" sort="Jacq, N" uniqKey="Jacq N" first="N." last="Jacq">N. Jacq</name>
<affiliation wicri:level="1">
<hal:affiliation type="laboratory" xml:id="struct-131" status="OLD">
<orgName>Laboratoire de Physique Corpusculaire - Clermont-Ferrand</orgName>
<orgName type="acronym">LPC</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>Campus des Cézeaux / 24 avenue des Landais / BP 80026 / 63171 Aubière Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://clrwww.in2p3.fr/</ref>
</desc>
<listRelation>
<relation active="#struct-205618" type="direct"></relation>
<relation active="#struct-300046" type="direct"></relation>
<relation name="UMR6533" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles>
<tutelle active="#struct-205618" type="direct">
<org type="institution" xml:id="struct-205618" status="OLD">
<orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
<orgName type="acronym">UBP</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-bpclermont.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-300046" type="direct">
<org type="institution" xml:id="struct-300046" status="VALID">
<orgName>Institut National de Physique Nucléaire et de Physique des Particules du CNRS</orgName>
<orgName type="acronym">IN2P3</orgName>
<desc>
<address>
<country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
<tutelle name="UMR6533" active="#struct-441569" type="direct">
<org type="institution" xml:id="struct-441569" status="VALID">
<idno type="IdRef">02636817X</idno>
<idno type="ISNI">0000000122597504</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc>
<address>
<country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
<author>
<name sortKey="Ho, L Y" sort="Ho, L Y" uniqKey="Ho L" first="L.-Y." last="Ho">L.-Y. Ho</name>
</author>
<author>
<name sortKey="Chen, H Y" sort="Chen, H Y" uniqKey="Chen H" first="H.-Y." last="Chen">H.-Y. Chen</name>
</author>
<author>
<name sortKey="Breton, Vincent" sort="Breton, Vincent" uniqKey="Breton V" first="Vincent" last="Breton">Vincent Breton</name>
<affiliation wicri:level="1">
<hal:affiliation type="laboratory" xml:id="struct-131" status="OLD">
<orgName>Laboratoire de Physique Corpusculaire - Clermont-Ferrand</orgName>
<orgName type="acronym">LPC</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>Campus des Cézeaux / 24 avenue des Landais / BP 80026 / 63171 Aubière Cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://clrwww.in2p3.fr/</ref>
</desc>
<listRelation>
<relation active="#struct-205618" type="direct"></relation>
<relation active="#struct-300046" type="direct"></relation>
<relation name="UMR6533" active="#struct-441569" type="direct"></relation>
</listRelation>
<tutelles>
<tutelle active="#struct-205618" type="direct">
<org type="institution" xml:id="struct-205618" status="OLD">
<orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
<orgName type="acronym">UBP</orgName>
<date type="end">2016-12-31</date>
<desc>
<address>
<addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.univ-bpclermont.fr/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-300046" type="direct">
<org type="institution" xml:id="struct-300046" status="VALID">
<orgName>Institut National de Physique Nucléaire et de Physique des Particules du CNRS</orgName>
<orgName type="acronym">IN2P3</orgName>
<desc>
<address>
<country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
<tutelle name="UMR6533" active="#struct-441569" type="direct">
<org type="institution" xml:id="struct-441569" status="VALID">
<idno type="IdRef">02636817X</idno>
<idno type="ISNI">0000000122597504</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc>
<address>
<country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>France</country>
</affiliation>
</author>
<author>
<name sortKey="Merelli, I" sort="Merelli, I" uniqKey="Merelli I" first="I." last="Merelli">I. Merelli</name>
</author>
<author>
<name sortKey="Milanesi, L" sort="Milanesi, L" uniqKey="Milanesi L" first="L." last="Milanesi">L. Milanesi</name>
</author>
<author>
<name sortKey="C Lin, S" sort="C Lin, S" uniqKey="C Lin S" first="S." last="C. Lin">S. C. Lin</name>
</author>
<author>
<name sortKey="Wu, Y T" sort="Wu, Y T" uniqKey="Wu Y" first="Y.-T." last="Wu">Y.-T. Wu</name>
</author>
</analytic>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc>
<textClass>
<keywords scheme="mix" xml:lang="en">
<term>Grid computing</term>
<term>biological databases</term>
<term>grid services</term>
<term>web services</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front>
<div type="abstract" xml:lang="en">
<p>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.</p>
</div>
</front>
</TEI>
<affiliations>
<list>
<country>
<li>France</li>
</country>
</list>
<tree>
<noCountry>
<name sortKey="C Lin, S" sort="C Lin, S" uniqKey="C Lin S" first="S." last="C. Lin">S. C. Lin</name>
<name sortKey="Chen, H Y" sort="Chen, H Y" uniqKey="Chen H" first="H.-Y." last="Chen">H.-Y. Chen</name>
<name sortKey="Ho, L Y" sort="Ho, L Y" uniqKey="Ho L" first="L.-Y." last="Ho">L.-Y. Ho</name>
<name sortKey="Lee, H C" sort="Lee, H C" uniqKey="Lee H" first="H.-C." last="Lee">H.-C. Lee</name>
<name sortKey="Merelli, I" sort="Merelli, I" uniqKey="Merelli I" first="I." last="Merelli">I. Merelli</name>
<name sortKey="Milanesi, L" sort="Milanesi, L" uniqKey="Milanesi L" first="L." last="Milanesi">L. Milanesi</name>
<name sortKey="Wu, Y T" sort="Wu, Y T" uniqKey="Wu Y" first="Y.-T." last="Wu">Y.-T. Wu</name>
</noCountry>
<country name="France">
<noRegion>
<name sortKey="Salzemann, J" sort="Salzemann, J" uniqKey="Salzemann J" first="J." last="Salzemann">J. Salzemann</name>
</noRegion>
<name sortKey="Breton, Vincent" sort="Breton, Vincent" uniqKey="Breton V" first="Vincent" last="Breton">Vincent Breton</name>
<name sortKey="Jacq, N" sort="Jacq, N" uniqKey="Jacq N" first="N." last="Jacq">N. Jacq</name>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/H2N2V1/Data/France/Analysis
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000242 | SxmlIndent | more

Ou

HfdSelect -h $EXPLOR_AREA/Data/France/Analysis/biblio.hfd -nk 000242 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    H2N2V1
   |flux=    France
   |étape=   Analysis
   |type=    RBID
   |clé=     Hal:in2p3-00114348
   |texte=   Grid-enabled high throughput in-silico screening against influenza A neuraminidase
}}

Wicri

This area was generated with Dilib version V0.6.33.
Data generation: Tue Apr 14 19:59:40 2020. Site generation: Thu Mar 25 15:38:26 2021