H2N2V1, France, Analysis, bibRecord, 000245

Grid-enabled High-throughput in silico Screening against Influenza A Neuraminidase

Identifieur interne : 000245 ( France/Analysis ); précédent : 000244; suivant : 000246

Grid-enabled High-throughput in silico Screening against Influenza A Neuraminidase

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

Source :

IEEE Transactions on NanoBioscience [ 1536-1241 ] ; 2006.

RBID : Hal:in2p3-00114129

English descriptors

mix :
- BioinfoGRID, EGEE, avian flu, data challenge, drug discovery, grid infrastructure, neuraminidase, virtual screening.

Abstract

Encouraged by the success of the first EGEE biomedical data challenge against malaria (WISDOM) [1], the second data challenge battling avian flu kicked off in April 2006 to identify new drugs for the potential variants of the Influenza A virus. Mobilizing thousands of CPUs on the Grid, the 6-weeks long high-throughput screening activity has fulfilled over 100 CPU years of computing power and produced around 600 Gigabytes of results on the Grid for further biological analysis and testing. In the paper, we demonstrate the impact of a world-wide Grid infrastructure to efficiently deploy large scale virtual screening [2] to speed up the drug design process. Lessons learned through the data challenge activity are also discussed.

Url:

http://hal.in2p3.fr/in2p3-00114129

DOI: 10.1109/TNB.2006.887943

Affiliations:

France, Italie, Taïwan

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

to stream Hal, to step Corpus: 000120
to stream Hal, to step Curation: 000120
to stream Hal, to step Checkpoint: 000326
to stream Main, to step Merge: 001479
to stream Main, to step Curation: 001460
to stream Main, to step Exploration: 001460
to stream France, to step Extraction: 000245

Links to Exploration step

Hal:in2p3-00114129

Le document en format XML

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<country>France</country>
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</author>
<author><name sortKey="Chen, H Y" sort="Chen, H Y" uniqKey="Chen H" first="H.-Y." last="Chen">H.-Y. Chen</name>
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</tutelle>
</tutelles>
</hal:affiliation>
<country>Taïwan</country>
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</author>
<author><name sortKey="Ho, Li Yung" sort="Ho, Li Yung" uniqKey="Ho L" first="Li-Yung" last="Ho">Li-Yung Ho</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-23992" status="INCOMING">          <orgName>Genomics Research Center</orgName>
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<author><name sortKey="Merelli, I" sort="Merelli, I" uniqKey="Merelli I" first="I." last="Merelli">I. Merelli</name>
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          <date type="end">2016-12-31</date>
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<author><name sortKey="C Lin, S" sort="C Lin, S" uniqKey="C Lin S" first="S." last="C. Lin">S. C. Lin</name>
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          <orgName type="acronym">GENOMICS RESEARCH CENTER</orgName>
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            </address>
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              <country key="TW"></country>
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            <ref type="url">http://www.sinica.edu.tw/en</ref>
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</tutelle>
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</hal:affiliation>
<country>Taïwan</country>
</affiliation>
</author>
<author><name sortKey="Wu, Y T" sort="Wu, Y T" uniqKey="Wu Y" first="Y.-T." last="Wu">Y.-T. Wu</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-23992" status="INCOMING">          <orgName>Genomics Research Center</orgName>
          <orgName type="acronym">GENOMICS RESEARCH CENTER</orgName>
          <desc>            <address>              <country key="TW"></country>
            </address>
          </desc>
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          <desc>            <address>              <addrLine>128 Academia Road, Section 2, Nankang, Taipei 11529</addrLine>
              <country key="TW"></country>
            </address>
            <ref type="url">http://www.sinica.edu.tw/en</ref>
          </desc>
        </org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Taïwan</country>
</affiliation>
</author>
</analytic>
<idno type="DOI">10.1109/TNB.2006.887943</idno>
<series><title level="j">IEEE Transactions on NanoBioscience</title>
<idno type="ISSN">1536-1241</idno>
<imprint><date type="datePub">2006</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>BioinfoGRID</term>
<term>EGEE</term>
<term>avian flu</term>
<term>data challenge</term>
<term>drug discovery</term>
<term>grid infrastructure</term>
<term>neuraminidase</term>
<term>virtual screening</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">              <p>Encouraged by the success of the first EGEE biomedical data challenge against malaria (WISDOM) [1], the second data challenge battling avian flu kicked off in April 2006 to identify new drugs for the potential variants of the Influenza A virus. Mobilizing thousands of CPUs on the Grid, the 6-weeks long high-throughput screening activity has fulfilled over 100 CPU years of computing power and produced around 600 Gigabytes of results on the Grid for further biological analysis and testing. In the paper, we demonstrate the impact of a world-wide Grid infrastructure to efficiently deploy large scale virtual screening [2] to speed up the drug design process. Lessons learned through the data challenge activity are also discussed.</p>
            </div>
</front>
</TEI>
<affiliations><list><country><li>France</li>
<li>Italie</li>
<li>Taïwan</li>
</country>
</list>
<tree><country name="Taïwan"><noRegion><name sortKey="Lee, H C" sort="Lee, H C" uniqKey="Lee H" first="H.-C." last="Lee">H.-C. Lee</name>
</noRegion>
<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, Li Yung" sort="Ho, Li Yung" uniqKey="Ho L" first="Li-Yung" last="Ho">Li-Yung Ho</name>
<name sortKey="Wu, Y T" sort="Wu, Y T" uniqKey="Wu Y" first="Y.-T." last="Wu">Y.-T. Wu</name>
</country>
<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>
<country name="Italie"><noRegion><name sortKey="Merelli, I" sort="Merelli, I" uniqKey="Merelli I" first="I." last="Merelli">I. Merelli</name>
</noRegion>
<name sortKey="Milanesi, L" sort="Milanesi, L" uniqKey="Milanesi L" first="L." last="Milanesi">L. Milanesi</name>
</country>
</tree>
</affiliations>
</record>

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   |texte=   Grid-enabled High-throughput in silico Screening against Influenza A Neuraminidase
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Grid-enabled High-throughput in silico Screening against Influenza A Neuraminidase

Grid-enabled High-throughput in silico Screening against Influenza A Neuraminidase

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