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Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

Identifieur interne : 002A44 ( Main/Exploration ); précédent : 002A43; suivant : 002A45

Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

Auteurs : Andrej Sali [États-Unis] ; Helen M. Berman [États-Unis] ; Torsten Schwede [Suisse] ; Jill Trewhella [Australie] ; Gerard Kleywegt [Royaume-Uni] ; Stephen K. Burley [États-Unis] ; John Markley [États-Unis] ; Haruki Nakamura [Japon] ; Paul Adams [États-Unis] ; Alexandre M. J. J. Bonvin [Pays-Bas] ; Wah Chiu [États-Unis] ; Matteo Dal Peraro [Suisse] ; Frank Di Maio [États-Unis] ; Thomas E. Ferrin [États-Unis] ; Kay Grünewald [Royaume-Uni] ; Aleksandras Gutmanas [Royaume-Uni] ; Richard Henderson [Royaume-Uni] ; Gerhard Hummer [Allemagne] ; Kenji Iwasaki [Japon] ; Graham Johnson [États-Unis] ; Catherine L. Lawson [États-Unis] ; Jens Meiler [États-Unis] ; Marc A. Marti-Renom [Espagne] ; Gaetano T. Montelione [États-Unis] ; Michael Nilges [France] ; Ruth Nussinov [États-Unis, Israël] ; Ardan Patwardhan [Royaume-Uni] ; Juri Rappsilber [Royaume-Uni, Allemagne] ; Randy J. Read [Royaume-Uni] ; Helen Saibil [Royaume-Uni] ; Gunnar F. Schröder [Allemagne] ; Charles D. Schwieters [États-Unis] ; Claus A. M. Seidel [Allemagne] ; Dmitri Svergun [Allemagne] ; Maya Topf [Royaume-Uni] ; Eldon L. Ulrich [États-Unis] ; Sameer Velankar [Royaume-Uni] ; John D. Westbrook [États-Unis]

Source :

RBID : PMC:4933300

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English descriptors

Abstract

Summary

Structures of biomolecular systems are increasingly computed by integrative modeling that relies on varied types of experimental data and theoretical information. We describe here the proceedings and conclusions from the first wwPDB Hybrid/Integrative Methods Task Force Workshop held at the European Bioinformatics Institute in Hinxton, UK, October 6 and 7, 2014. At the workshop, experts in various experimental fields of structural biology, experts in integrative modeling and visualization, and experts in data archiving addressed a series of questions central to the future of structural biology. How should integrative models be represented? How should the data and integrative models be validated? What data should be archived? How should the data and models be archived? What information should accompany the publication of integrative models?


Url:
DOI: 10.1016/j.str.2015.05.013
PubMed: 26095030
PubMed Central: 4933300


Affiliations:


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<wicri:cityArea>Department of Biochemistry, University of Washington, Seattle</wicri:cityArea>
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<name sortKey="Ferrin, Thomas E" sort="Ferrin, Thomas E" uniqKey="Ferrin T" first="Thomas E." last="Ferrin">Thomas E. Ferrin</name>
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Street, San Francisco, CA 94158-2517, USA</nlm:aff>
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<name sortKey="Grunewald, Kay" sort="Grunewald, Kay" uniqKey="Grunewald K" first="Kay" last="Grünewald">Kay Grünewald</name>
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<name sortKey="Gutmanas, Aleksandras" sort="Gutmanas, Aleksandras" uniqKey="Gutmanas A" first="Aleksandras" last="Gutmanas">Aleksandras Gutmanas</name>
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<name sortKey="Henderson, Richard" sort="Henderson, Richard" uniqKey="Henderson R" first="Richard" last="Henderson">Richard Henderson</name>
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<nlm:aff id="A16">MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, UK</nlm:aff>
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<country xml:lang="fr">Allemagne</country>
<wicri:regionArea>Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue Str. 3, 60438 Frankfurt am Main</wicri:regionArea>
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<name sortKey="Iwasaki, Kenji" sort="Iwasaki, Kenji" uniqKey="Iwasaki K" first="Kenji" last="Iwasaki">Kenji Iwasaki</name>
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<nlm:aff id="A18">Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</nlm:aff>
<country xml:lang="fr">Japon</country>
<wicri:regionArea>Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871</wicri:regionArea>
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<name sortKey="Johnson, Graham" sort="Johnson, Graham" uniqKey="Johnson G" first="Graham" last="Johnson">Graham Johnson</name>
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<nlm:aff id="A19">Department of Bioengineering and Therapeutic Sciences, California Institute for Quantitative Biosciences, University of California, San Francisco, 600 16th Street, San Francisco, CA 94158-2330, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Department of Bioengineering and Therapeutic Sciences, California Institute for Quantitative Biosciences, University of California, San Francisco, 600 16th Street, San Francisco, CA 94158-2330</wicri:regionArea>
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<region type="state">Californie</region>
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<name sortKey="Lawson, Catherine L" sort="Lawson, Catherine L" uniqKey="Lawson C" first="Catherine L." last="Lawson">Catherine L. Lawson</name>
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<name sortKey="Meiler, Jens" sort="Meiler, Jens" uniqKey="Meiler J" first="Jens" last="Meiler">Jens Meiler</name>
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<nlm:aff id="A20">Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville, TN 37235</nlm:aff>
<country xml:lang="fr">États-Unis</country>
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<region type="state">Tennessee</region>
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<wicri:cityArea>Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville</wicri:cityArea>
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<name sortKey="Marti Renom, Marc A" sort="Marti Renom, Marc A" uniqKey="Marti Renom M" first="Marc A." last="Marti-Renom">Marc A. Marti-Renom</name>
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<nlm:aff id="A21">Genome Biology Group. Centre Nacional d’Anàlisi Genòmica (CNAG), Gene Regulation. Stem Cells and Cancer Program. Center for Genomic Regulation (CRG) and Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain</nlm:aff>
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<wicri:regionArea>Genome Biology Group. Centre Nacional d’Anàlisi Genòmica (CNAG), Gene Regulation. Stem Cells and Cancer Program. Center for Genomic Regulation (CRG) and Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona</wicri:regionArea>
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<name sortKey="Montelione, Gaetano T" sort="Montelione, Gaetano T" uniqKey="Montelione G" first="Gaetano T." last="Montelione">Gaetano T. Montelione</name>
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<nlm:aff id="A22">Center for Advanced Biotechnology and Medicine, and Department of Molecular Biology and Biochemistry, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Center for Advanced Biotechnology and Medicine, and Department of Molecular Biology and Biochemistry, Rutgers, The State University of New Jersey, Piscataway, NJ 08854</wicri:regionArea>
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<region type="state">New Jersey</region>
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<nlm:aff id="A23">Department of Biochemistry, Robert Wood Johnson Medical School, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Department of Biochemistry, Robert Wood Johnson Medical School, Rutgers, The State University of New Jersey, Piscataway, NJ 08854</wicri:regionArea>
<placeName>
<region type="state">New Jersey</region>
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<name sortKey="Nilges, Michael" sort="Nilges, Michael" uniqKey="Nilges M" first="Michael" last="Nilges">Michael Nilges</name>
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<nlm:aff id="A24">Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris</wicri:regionArea>
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<region type="region" nuts="2">Île-de-France</region>
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<nlm:aff id="A25">Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris</wicri:regionArea>
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<name sortKey="Nussinov, Ruth" sort="Nussinov, Ruth" uniqKey="Nussinov R" first="Ruth" last="Nussinov">Ruth Nussinov</name>
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<nlm:aff id="A26">Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702, USA</nlm:aff>
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<wicri:regionArea>Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702</wicri:regionArea>
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<region type="state">Maryland</region>
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<nlm:aff id="A27">Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel</nlm:aff>
<country xml:lang="fr">Israël</country>
<wicri:regionArea>Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978</wicri:regionArea>
<wicri:noRegion>Tel Aviv 69978</wicri:noRegion>
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<name sortKey="Patwardhan, Ardan" sort="Patwardhan, Ardan" uniqKey="Patwardhan A" first="Ardan" last="Patwardhan">Ardan Patwardhan</name>
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<nlm:aff id="A5">Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD</wicri:regionArea>
<wicri:noRegion>Cambridge CB10 1SD</wicri:noRegion>
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<author>
<name sortKey="Rappsilber, Juri" sort="Rappsilber, Juri" uniqKey="Rappsilber J" first="Juri" last="Rappsilber">Juri Rappsilber</name>
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<nlm:aff id="A28">Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF, UK</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF</wicri:regionArea>
<orgName type="university">Université d'Édimbourg</orgName>
<placeName>
<settlement type="city">Édimbourg</settlement>
<region type="country">Écosse</region>
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<affiliation wicri:level="4">
<nlm:aff id="A29">Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin, Germany</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea>Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin</wicri:regionArea>
<placeName>
<region type="land" nuts="3">Berlin</region>
<settlement type="city">Berlin</settlement>
<settlement type="city">Berlin</settlement>
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<orgName type="university">Université technique de Berlin</orgName>
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</author>
<author>
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<nlm:aff id="A9">Physical Biosciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720-8235, USA, and Department of Bioengineering, UC Berkeley, Berkeley, CA 94720, USA</nlm:aff>
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<name sortKey="Chiu, Wah" sort="Chiu, Wah" uniqKey="Chiu W" first="Wah" last="Chiu">Wah Chiu</name>
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<country xml:lang="fr">Suisse</country>
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<nlm:aff id="A13">Department of Biochemistry, University of Washington, Seattle, WA 98195-7370</nlm:aff>
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<region type="state">Washington (État)</region>
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<name sortKey="Ferrin, Thomas E" sort="Ferrin, Thomas E" uniqKey="Ferrin T" first="Thomas E." last="Ferrin">Thomas E. Ferrin</name>
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Street, San Francisco, CA 94158-2517, USA</nlm:aff>
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<name sortKey="Iwasaki, Kenji" sort="Iwasaki, Kenji" uniqKey="Iwasaki K" first="Kenji" last="Iwasaki">Kenji Iwasaki</name>
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<name sortKey="Johnson, Graham" sort="Johnson, Graham" uniqKey="Johnson G" first="Graham" last="Johnson">Graham Johnson</name>
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<nlm:aff id="A19">Department of Bioengineering and Therapeutic Sciences, California Institute for Quantitative Biosciences, University of California, San Francisco, 600 16th Street, San Francisco, CA 94158-2330, USA</nlm:aff>
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<name sortKey="Lawson, Catherine L" sort="Lawson, Catherine L" uniqKey="Lawson C" first="Catherine L." last="Lawson">Catherine L. Lawson</name>
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<name sortKey="Meiler, Jens" sort="Meiler, Jens" uniqKey="Meiler J" first="Jens" last="Meiler">Jens Meiler</name>
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<wicri:cityArea>Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville</wicri:cityArea>
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</author>
<author>
<name sortKey="Marti Renom, Marc A" sort="Marti Renom, Marc A" uniqKey="Marti Renom M" first="Marc A." last="Marti-Renom">Marc A. Marti-Renom</name>
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<nlm:aff id="A21">Genome Biology Group. Centre Nacional d’Anàlisi Genòmica (CNAG), Gene Regulation. Stem Cells and Cancer Program. Center for Genomic Regulation (CRG) and Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain</nlm:aff>
<country xml:lang="fr">Espagne</country>
<wicri:regionArea>Genome Biology Group. Centre Nacional d’Anàlisi Genòmica (CNAG), Gene Regulation. Stem Cells and Cancer Program. Center for Genomic Regulation (CRG) and Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona</wicri:regionArea>
<placeName>
<settlement type="city">Barcelone</settlement>
<region nuts="2" type="region">Catalogne</region>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Montelione, Gaetano T" sort="Montelione, Gaetano T" uniqKey="Montelione G" first="Gaetano T." last="Montelione">Gaetano T. Montelione</name>
<affiliation wicri:level="2">
<nlm:aff id="A22">Center for Advanced Biotechnology and Medicine, and Department of Molecular Biology and Biochemistry, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Center for Advanced Biotechnology and Medicine, and Department of Molecular Biology and Biochemistry, Rutgers, The State University of New Jersey, Piscataway, NJ 08854</wicri:regionArea>
<placeName>
<region type="state">New Jersey</region>
</placeName>
</affiliation>
<affiliation wicri:level="2">
<nlm:aff id="A23">Department of Biochemistry, Robert Wood Johnson Medical School, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Department of Biochemistry, Robert Wood Johnson Medical School, Rutgers, The State University of New Jersey, Piscataway, NJ 08854</wicri:regionArea>
<placeName>
<region type="state">New Jersey</region>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Nilges, Michael" sort="Nilges, Michael" uniqKey="Nilges M" first="Michael" last="Nilges">Michael Nilges</name>
<affiliation wicri:level="3">
<nlm:aff id="A24">Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris</wicri:regionArea>
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<region type="region" nuts="2">Île-de-France</region>
<settlement type="city">Paris</settlement>
</placeName>
</affiliation>
<affiliation wicri:level="3">
<nlm:aff id="A25">Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris</wicri:regionArea>
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<region type="region" nuts="2">Île-de-France</region>
<settlement type="city">Paris</settlement>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Nussinov, Ruth" sort="Nussinov, Ruth" uniqKey="Nussinov R" first="Ruth" last="Nussinov">Ruth Nussinov</name>
<affiliation wicri:level="2">
<nlm:aff id="A26">Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702</wicri:regionArea>
<placeName>
<region type="state">Maryland</region>
</placeName>
</affiliation>
<affiliation wicri:level="1">
<nlm:aff id="A27">Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel</nlm:aff>
<country xml:lang="fr">Israël</country>
<wicri:regionArea>Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978</wicri:regionArea>
<wicri:noRegion>Tel Aviv 69978</wicri:noRegion>
</affiliation>
</author>
<author>
<name sortKey="Patwardhan, Ardan" sort="Patwardhan, Ardan" uniqKey="Patwardhan A" first="Ardan" last="Patwardhan">Ardan Patwardhan</name>
<affiliation wicri:level="1">
<nlm:aff id="A5">Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD</wicri:regionArea>
<wicri:noRegion>Cambridge CB10 1SD</wicri:noRegion>
</affiliation>
</author>
<author>
<name sortKey="Rappsilber, Juri" sort="Rappsilber, Juri" uniqKey="Rappsilber J" first="Juri" last="Rappsilber">Juri Rappsilber</name>
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<nlm:aff id="A28">Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF, UK</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF</wicri:regionArea>
<orgName type="university">Université d'Édimbourg</orgName>
<placeName>
<settlement type="city">Édimbourg</settlement>
<region type="country">Écosse</region>
</placeName>
</affiliation>
<affiliation wicri:level="4">
<nlm:aff id="A29">Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin, Germany</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea>Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin</wicri:regionArea>
<placeName>
<region type="land" nuts="3">Berlin</region>
<settlement type="city">Berlin</settlement>
<settlement type="city">Berlin</settlement>
</placeName>
<orgName type="university">Université technique de Berlin</orgName>
</affiliation>
</author>
<author>
<name sortKey="Read, Randy J" sort="Read, Randy J" uniqKey="Read R" first="Randy J." last="Read">Randy J. Read</name>
<affiliation wicri:level="4">
<nlm:aff id="A30">Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge</wicri:regionArea>
<orgName type="university">Université de Cambridge</orgName>
<placeName>
<settlement type="city">Cambridge</settlement>
<region type="country">Angleterre</region>
<region type="région" nuts="1">Angleterre de l'Est</region>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Saibil, Helen" sort="Saibil, Helen" uniqKey="Saibil H" first="Helen" last="Saibil">Helen Saibil</name>
<affiliation wicri:level="1">
<nlm:aff id="A31">Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX</wicri:regionArea>
<wicri:noRegion>London WC1E 7HX</wicri:noRegion>
</affiliation>
</author>
<author>
<name sortKey="Schroder, Gunnar F" sort="Schroder, Gunnar F" uniqKey="Schroder G" first="Gunnar F." last="Schröder">Gunnar F. Schröder</name>
<affiliation wicri:level="3">
<nlm:aff id="A32">Institute of Complex Systems (ICS-6), Forschungszentrum Jülich, 52425 Jülich, Germany and Physics Department, Heinrich-Heine University Düsseldorf, 40225 Düsseldorf, Germany</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea>Institute of Complex Systems (ICS-6), Forschungszentrum Jülich, 52425 Jülich, Germany and Physics Department, Heinrich-Heine University Düsseldorf, 40225 Düsseldorf</wicri:regionArea>
<placeName>
<region type="land" nuts="1">Rhénanie-du-Nord-Westphalie</region>
<region type="district" nuts="2">District de Düsseldorf</region>
<settlement type="city">Düsseldorf</settlement>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Schwieters, Charles D" sort="Schwieters, Charles D" uniqKey="Schwieters C" first="Charles D." last="Schwieters">Charles D. Schwieters</name>
<affiliation wicri:level="2">
<nlm:aff id="A33">Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892-0520, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892-0520</wicri:regionArea>
<placeName>
<region type="state">Maryland</region>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Seidel, Claus A M" sort="Seidel, Claus A M" uniqKey="Seidel C" first="Claus A. M." last="Seidel">Claus A. M. Seidel</name>
<affiliation wicri:level="3">
<nlm:aff id="A34">Chair for Molecular Physical Chemistry, Heinrich-Heine-Universität, Universitätsstraße 1, 40225 Düsseldorf, Germany</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea>Chair for Molecular Physical Chemistry, Heinrich-Heine-Universität, Universitätsstraße 1, 40225 Düsseldorf</wicri:regionArea>
<placeName>
<region type="land" nuts="1">Rhénanie-du-Nord-Westphalie</region>
<region type="district" nuts="2">District de Düsseldorf</region>
<settlement type="city">Düsseldorf</settlement>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Svergun, Dmitri" sort="Svergun, Dmitri" uniqKey="Svergun D" first="Dmitri" last="Svergun">Dmitri Svergun</name>
<affiliation wicri:level="1">
<nlm:aff id="A35">European Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg, Germany</nlm:aff>
<country xml:lang="fr">Allemagne</country>
<wicri:regionArea>European Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg</wicri:regionArea>
<wicri:noRegion>22607 Hamburg</wicri:noRegion>
<placeName>
<settlement type="city">Hambourg</settlement>
<region type="land" nuts="2">Hambourg</region>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Topf, Maya" sort="Topf, Maya" uniqKey="Topf M" first="Maya" last="Topf">Maya Topf</name>
<affiliation wicri:level="1">
<nlm:aff id="A31">Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX</wicri:regionArea>
<wicri:noRegion>London WC1E 7HX</wicri:noRegion>
</affiliation>
</author>
<author>
<name sortKey="Ulrich, Eldon L" sort="Ulrich, Eldon L" uniqKey="Ulrich E" first="Eldon L." last="Ulrich">Eldon L. Ulrich</name>
<affiliation wicri:level="2">
<nlm:aff id="A7">BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544</wicri:regionArea>
<placeName>
<region type="state">Wisconsin</region>
</placeName>
</affiliation>
</author>
<author>
<name sortKey="Velankar, Sameer" sort="Velankar, Sameer" uniqKey="Velankar S" first="Sameer" last="Velankar">Sameer Velankar</name>
<affiliation wicri:level="1">
<nlm:aff id="A5">Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea>Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD</wicri:regionArea>
<wicri:noRegion>Cambridge CB10 1SD</wicri:noRegion>
</affiliation>
</author>
<author>
<name sortKey="Westbrook, John D" sort="Westbrook, John D" uniqKey="Westbrook J" first="John D." last="Westbrook">John D. Westbrook</name>
<affiliation wicri:level="2">
<nlm:aff id="A2">Research Collaboratory for Structural Bioinformatics Protein Data Bank, Center for Integrative Proteomics Research, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>Research Collaboratory for Structural Bioinformatics Protein Data Bank, Center for Integrative Proteomics Research, Rutgers, The State University of New Jersey, Piscataway, NJ 08854</wicri:regionArea>
<placeName>
<region type="state">New Jersey</region>
</placeName>
</affiliation>
</author>
</analytic>
<series>
<title level="j">Structure (London, England : 1993)</title>
<idno type="ISSN">0969-2126</idno>
<idno type="eISSN">1878-4186</idno>
<imprint>
<date when="2015">2015</date>
</imprint>
</series>
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<keywords scheme="KwdEn" xml:lang="en">
<term>Advisory Committees</term>
<term>Computational Biology</term>
<term>Databases, Protein</term>
<term>Humans</term>
<term>Models, Molecular</term>
<term>Protein Conformation</term>
<term>Proteins (chemistry)</term>
</keywords>
<keywords scheme="KwdFr" xml:lang="fr">
<term>Bases de données de protéines</term>
<term>Biologie informatique</term>
<term>Comités consultatifs</term>
<term>Conformation des protéines</term>
<term>Humains</term>
<term>Modèles moléculaires</term>
<term>Protéines ()</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en">
<term>Proteins</term>
</keywords>
<keywords scheme="MESH" xml:lang="en">
<term>Advisory Committees</term>
<term>Computational Biology</term>
<term>Databases, Protein</term>
<term>Humans</term>
<term>Models, Molecular</term>
<term>Protein Conformation</term>
</keywords>
<keywords scheme="MESH" xml:lang="fr">
<term>Bases de données de protéines</term>
<term>Biologie informatique</term>
<term>Comités consultatifs</term>
<term>Conformation des protéines</term>
<term>Humains</term>
<term>Modèles moléculaires</term>
<term>Protéines</term>
</keywords>
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<front>
<div type="abstract" xml:lang="en">
<title>Summary</title>
<p id="P2">Structures of biomolecular systems are increasingly computed by integrative modeling that relies on varied types of experimental data and theoretical information. We describe here the proceedings and conclusions from the first wwPDB Hybrid/Integrative Methods Task Force Workshop held at the European Bioinformatics Institute in Hinxton, UK, October 6 and 7, 2014. At the workshop, experts in various experimental fields of structural biology, experts in integrative modeling and visualization, and experts in data archiving addressed a series of questions central to the future of structural biology. How should integrative models be represented? How should the data and integrative models be validated? What data should be archived? How should the data and models be archived? What information should accompany the publication of integrative models?</p>
</div>
</front>
</TEI>
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<list>
<country>
<li>Allemagne</li>
<li>Australie</li>
<li>Espagne</li>
<li>France</li>
<li>Israël</li>
<li>Japon</li>
<li>Pays-Bas</li>
<li>Royaume-Uni</li>
<li>Suisse</li>
<li>États-Unis</li>
</country>
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<li>Angleterre</li>
<li>Angleterre de l'Est</li>
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<li>Catalogne</li>
<li>District de Darmstadt</li>
<li>District de Düsseldorf</li>
<li>Hambourg</li>
<li>Hesse (Land)</li>
<li>Maryland</li>
<li>New Jersey</li>
<li>Nouvelle-Galles du Sud</li>
<li>Rhénanie-du-Nord-Westphalie</li>
<li>Tennessee</li>
<li>Texas</li>
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<li>Paris</li>
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<li>Utrecht</li>
<li>Édimbourg</li>
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<li>Université d'Utrecht</li>
<li>Université d'Édimbourg</li>
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<name sortKey="Burley, Stephen K" sort="Burley, Stephen K" uniqKey="Burley S" first="Stephen K." last="Burley">Stephen K. Burley</name>
<name sortKey="Burley, Stephen K" sort="Burley, Stephen K" uniqKey="Burley S" first="Stephen K." last="Burley">Stephen K. Burley</name>
<name sortKey="Chiu, Wah" sort="Chiu, Wah" uniqKey="Chiu W" first="Wah" last="Chiu">Wah Chiu</name>
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<name sortKey="Markley, John" sort="Markley, John" uniqKey="Markley J" first="John" last="Markley">John Markley</name>
<name sortKey="Meiler, Jens" sort="Meiler, Jens" uniqKey="Meiler J" first="Jens" last="Meiler">Jens Meiler</name>
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<name sortKey="Trewhella, Jill" sort="Trewhella, Jill" uniqKey="Trewhella J" first="Jill" last="Trewhella">Jill Trewhella</name>
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<name sortKey="Marti Renom, Marc A" sort="Marti Renom, Marc A" uniqKey="Marti Renom M" first="Marc A." last="Marti-Renom">Marc A. Marti-Renom</name>
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<country name="France">
<region name="Île-de-France">
<name sortKey="Nilges, Michael" sort="Nilges, Michael" uniqKey="Nilges M" first="Michael" last="Nilges">Michael Nilges</name>
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<name sortKey="Nilges, Michael" sort="Nilges, Michael" uniqKey="Nilges M" first="Michael" last="Nilges">Michael Nilges</name>
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<country name="Israël">
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<name sortKey="Nussinov, Ruth" sort="Nussinov, Ruth" uniqKey="Nussinov R" first="Ruth" last="Nussinov">Ruth Nussinov</name>
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