Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop
Identifieur interne : 001D91 ( Pmc/Corpus ); précédent : 001D90; suivant : 001D92Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop
Auteurs : Andrej Sali ; Helen M. Berman ; Torsten Schwede ; Jill Trewhella ; Gerard Kleywegt ; Stephen K. Burley ; John Markley ; Haruki Nakamura ; Paul Adams ; Alexandre M. J. J. Bonvin ; Wah Chiu ; Matteo Dal Peraro ; Frank Di Maio ; Thomas E. Ferrin ; Kay Grünewald ; Aleksandras Gutmanas ; Richard Henderson ; Gerhard Hummer ; Kenji Iwasaki ; Graham Johnson ; Catherine L. Lawson ; Jens Meiler ; Marc A. Marti-Renom ; Gaetano T. Montelione ; Michael Nilges ; Ruth Nussinov ; Ardan Patwardhan ; Juri Rappsilber ; Randy J. Read ; Helen Saibil ; Gunnar F. Schröder ; Charles D. Schwieters ; Claus A. M. Seidel ; Dmitri Svergun ; Maya Topf ; Eldon L. Ulrich ; Sameer Velankar ; John D. WestbrookSource :
- Structure (London, England : 1993) [ 0969-2126 ] ; 2015.
Abstract
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
Links to Exploration step
PMC:4933300Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop</title><author><name sortKey="Sali, Andrej" sort="Sali, Andrej" uniqKey="Sali A" first="Andrej" last="Sali">Andrej Sali</name><affiliation><nlm:aff id="A1">Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, California Institute for Quantitative Biosciences, Byers Hall Room 503B, University of California, San Francisco, 1700 4th Street, San Francisco, CA 94158-2330, USA</nlm:aff></affiliation></author><author><name sortKey="Berman, Helen M" sort="Berman, Helen M" uniqKey="Berman H" first="Helen M." last="Berman">Helen M. Berman</name><affiliation><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></affiliation></author><author><name sortKey="Schwede, Torsten" sort="Schwede, Torsten" uniqKey="Schwede T" first="Torsten" last="Schwede">Torsten Schwede</name><affiliation><nlm:aff id="A3">SIB Swiss Institute of Bioinformatics; Biozentrum, University of Basel, Klingelbergstrasse 50-70, CH-4056 Basel, Switzerland</nlm:aff></affiliation></author><author><name sortKey="Trewhella, Jill" sort="Trewhella, Jill" uniqKey="Trewhella J" first="Jill" last="Trewhella">Jill Trewhella</name><affiliation><nlm:aff id="A4">School of Molecular Bioscience, The University of Sydney, NSW 2006, Australia</nlm:aff></affiliation></author><author><name sortKey="Kleywegt, Gerard" sort="Kleywegt, Gerard" uniqKey="Kleywegt G" first="Gerard" last="Kleywegt">Gerard Kleywegt</name><affiliation><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></affiliation></author><author><name sortKey="Burley, Stephen K" sort="Burley, Stephen K" uniqKey="Burley S" first="Stephen K." last="Burley">Stephen K. Burley</name><affiliation><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></affiliation><affiliation><nlm:aff id="A6">Skaggs School of Pharmacy and Pharmaceutical Sciences and San Diego Supercomputer Center, University of California, San Diego, La Jolla, CA 92093, USA</nlm:aff></affiliation></author><author><name sortKey="Markley, John" sort="Markley, John" uniqKey="Markley J" first="John" last="Markley">John Markley</name><affiliation><nlm:aff id="A7">BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544, USA</nlm:aff></affiliation></author><author><name sortKey="Nakamura, Haruki" sort="Nakamura, Haruki" uniqKey="Nakamura H" first="Haruki" last="Nakamura">Haruki Nakamura</name><affiliation><nlm:aff id="A8">Protein Data Bank Japan, Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</nlm:aff></affiliation></author><author><name sortKey="Adams, Paul" sort="Adams, Paul" uniqKey="Adams P" first="Paul" last="Adams">Paul Adams</name><affiliation><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></affiliation></author><author><name sortKey="Bonvin, Alexandre M J J" sort="Bonvin, Alexandre M J J" uniqKey="Bonvin A" first="Alexandre M. J. J." last="Bonvin">Alexandre M. J. J. Bonvin</name><affiliation><nlm:aff id="A10">Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, Utrecht, 3584 CH, the Netherlands</nlm:aff></affiliation></author><author><name sortKey="Chiu, Wah" sort="Chiu, Wah" uniqKey="Chiu W" first="Wah" last="Chiu">Wah Chiu</name><affiliation><nlm:aff id="A11">National Center for Macromolecular Imaging, Baylor College of Medicine, Houston, TX 77030, USA</nlm:aff></affiliation></author><author><name sortKey="Dal Peraro, Matteo" sort="Dal Peraro, Matteo" uniqKey="Dal Peraro M" first="Matteo" last="Dal Peraro">Matteo Dal Peraro</name><affiliation><nlm:aff id="A12">Institute of Bioengineering, School of Life Sciences, École Polytechnique Fédérale de Lausanne (EPFL) and Swiss Institute of Bioinformatics (SIB), Lausanne, Switzerland</nlm:aff></affiliation></author><author><name sortKey="Di Maio, Frank" sort="Di Maio, Frank" uniqKey="Di Maio F" first="Frank" last="Di Maio">Frank Di Maio</name><affiliation><nlm:aff id="A13">Department of Biochemistry, University of Washington, Seattle, WA 98195-7370</nlm:aff></affiliation></author><author><name sortKey="Ferrin, Thomas E" sort="Ferrin, Thomas E" uniqKey="Ferrin T" first="Thomas E." last="Ferrin">Thomas E. Ferrin</name><affiliation><nlm:aff id="A14">Department of Pharmaceutical Chemistry, Department of Bioengineering and Therapeutic Sciences, California Institute for Quantitative Biosciences, University of California, San Francisco, 600 16<sup>th</sup> Street, San Francisco, CA 94158-2517, USA</nlm:aff></affiliation></author><author><name sortKey="Grunewald, Kay" sort="Grunewald, Kay" uniqKey="Grunewald K" first="Kay" last="Grünewald">Kay Grünewald</name><affiliation><nlm:aff id="A15">Division Of Structural Biology, Wellcome Trust Centre of Human Genetics, University of Oxford OX3 7BN, UK</nlm:aff></affiliation></author><author><name sortKey="Gutmanas, Aleksandras" sort="Gutmanas, Aleksandras" uniqKey="Gutmanas A" first="Aleksandras" last="Gutmanas">Aleksandras Gutmanas</name><affiliation><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></affiliation></author><author><name sortKey="Henderson, Richard" sort="Henderson, Richard" uniqKey="Henderson R" first="Richard" last="Henderson">Richard Henderson</name><affiliation><nlm:aff id="A16">MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, UK</nlm:aff></affiliation></author><author><name sortKey="Hummer, Gerhard" sort="Hummer, Gerhard" uniqKey="Hummer G" first="Gerhard" last="Hummer">Gerhard Hummer</name><affiliation><nlm:aff id="A17">Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue Str. 3, 60438 Frankfurt am Main, Germany</nlm:aff></affiliation></author><author><name sortKey="Iwasaki, Kenji" sort="Iwasaki, Kenji" uniqKey="Iwasaki K" first="Kenji" last="Iwasaki">Kenji Iwasaki</name><affiliation><nlm:aff id="A18">Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</nlm:aff></affiliation></author><author><name sortKey="Johnson, Graham" sort="Johnson, Graham" uniqKey="Johnson G" first="Graham" last="Johnson">Graham Johnson</name><affiliation><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></affiliation></author><author><name sortKey="Lawson, Catherine L" sort="Lawson, Catherine L" uniqKey="Lawson C" first="Catherine L." last="Lawson">Catherine L. Lawson</name><affiliation><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></affiliation></author><author><name sortKey="Meiler, Jens" sort="Meiler, Jens" uniqKey="Meiler J" first="Jens" last="Meiler">Jens Meiler</name><affiliation><nlm:aff id="A20">Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville, TN 37235</nlm:aff></affiliation></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><affiliation><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></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><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></affiliation><affiliation><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></affiliation></author><author><name sortKey="Nilges, Michael" sort="Nilges, Michael" uniqKey="Nilges M" first="Michael" last="Nilges">Michael Nilges</name><affiliation><nlm:aff id="A24">Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris, France</nlm:aff></affiliation><affiliation><nlm:aff id="A25">Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris, France</nlm:aff></affiliation></author><author><name sortKey="Nussinov, Ruth" sort="Nussinov, Ruth" uniqKey="Nussinov R" first="Ruth" last="Nussinov">Ruth Nussinov</name><affiliation><nlm:aff id="A26">Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702, USA</nlm:aff></affiliation><affiliation><nlm:aff id="A27">Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel</nlm:aff></affiliation></author><author><name sortKey="Patwardhan, Ardan" sort="Patwardhan, Ardan" uniqKey="Patwardhan A" first="Ardan" last="Patwardhan">Ardan Patwardhan</name><affiliation><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></affiliation></author><author><name sortKey="Rappsilber, Juri" sort="Rappsilber, Juri" uniqKey="Rappsilber J" first="Juri" last="Rappsilber">Juri Rappsilber</name><affiliation><nlm:aff id="A28">Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF, UK</nlm:aff></affiliation><affiliation><nlm:aff id="A29">Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin, Germany</nlm:aff></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><nlm:aff id="A30">Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK</nlm:aff></affiliation></author><author><name sortKey="Saibil, Helen" sort="Saibil, Helen" uniqKey="Saibil H" first="Helen" last="Saibil">Helen Saibil</name><affiliation><nlm:aff id="A31">Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</nlm:aff></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><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></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><nlm:aff id="A33">Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892-0520, USA</nlm:aff></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><nlm:aff id="A34">Chair for Molecular Physical Chemistry, Heinrich-Heine-Universität, Universitätsstraße 1, 40225 Düsseldorf, Germany</nlm:aff></affiliation></author><author><name sortKey="Svergun, Dmitri" sort="Svergun, Dmitri" uniqKey="Svergun D" first="Dmitri" last="Svergun">Dmitri Svergun</name><affiliation><nlm:aff id="A35">European Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg, Germany</nlm:aff></affiliation></author><author><name sortKey="Topf, Maya" sort="Topf, Maya" uniqKey="Topf M" first="Maya" last="Topf">Maya Topf</name><affiliation><nlm:aff id="A31">Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</nlm:aff></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><nlm:aff id="A7">BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544, USA</nlm:aff></affiliation></author><author><name sortKey="Velankar, Sameer" sort="Velankar, Sameer" uniqKey="Velankar S" first="Sameer" last="Velankar">Sameer Velankar</name><affiliation><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></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><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></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">26095030</idno><idno type="pmc">4933300</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4933300</idno><idno type="RBID">PMC:4933300</idno><idno type="doi">10.1016/j.str.2015.05.013</idno><date when="2015">2015</date><idno type="wicri:Area/Pmc/Corpus">001D91</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">001D91</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop</title><author><name sortKey="Sali, Andrej" sort="Sali, Andrej" uniqKey="Sali A" first="Andrej" last="Sali">Andrej Sali</name><affiliation><nlm:aff id="A1">Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, California Institute for Quantitative Biosciences, Byers Hall Room 503B, University of California, San Francisco, 1700 4th Street, San Francisco, CA 94158-2330, USA</nlm:aff></affiliation></author><author><name sortKey="Berman, Helen M" sort="Berman, Helen M" uniqKey="Berman H" first="Helen M." last="Berman">Helen M. Berman</name><affiliation><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></affiliation></author><author><name sortKey="Schwede, Torsten" sort="Schwede, Torsten" uniqKey="Schwede T" first="Torsten" last="Schwede">Torsten Schwede</name><affiliation><nlm:aff id="A3">SIB Swiss Institute of Bioinformatics; Biozentrum, University of Basel, Klingelbergstrasse 50-70, CH-4056 Basel, Switzerland</nlm:aff></affiliation></author><author><name sortKey="Trewhella, Jill" sort="Trewhella, Jill" uniqKey="Trewhella J" first="Jill" last="Trewhella">Jill Trewhella</name><affiliation><nlm:aff id="A4">School of Molecular Bioscience, The University of Sydney, NSW 2006, Australia</nlm:aff></affiliation></author><author><name sortKey="Kleywegt, Gerard" sort="Kleywegt, Gerard" uniqKey="Kleywegt G" first="Gerard" last="Kleywegt">Gerard Kleywegt</name><affiliation><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></affiliation></author><author><name sortKey="Burley, Stephen K" sort="Burley, Stephen K" uniqKey="Burley S" first="Stephen K." last="Burley">Stephen K. Burley</name><affiliation><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></affiliation><affiliation><nlm:aff id="A6">Skaggs School of Pharmacy and Pharmaceutical Sciences and San Diego Supercomputer Center, University of California, San Diego, La Jolla, CA 92093, USA</nlm:aff></affiliation></author><author><name sortKey="Markley, John" sort="Markley, John" uniqKey="Markley J" first="John" last="Markley">John Markley</name><affiliation><nlm:aff id="A7">BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544, USA</nlm:aff></affiliation></author><author><name sortKey="Nakamura, Haruki" sort="Nakamura, Haruki" uniqKey="Nakamura H" first="Haruki" last="Nakamura">Haruki Nakamura</name><affiliation><nlm:aff id="A8">Protein Data Bank Japan, Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</nlm:aff></affiliation></author><author><name sortKey="Adams, Paul" sort="Adams, Paul" uniqKey="Adams P" first="Paul" last="Adams">Paul Adams</name><affiliation><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></affiliation></author><author><name sortKey="Bonvin, Alexandre M J J" sort="Bonvin, Alexandre M J J" uniqKey="Bonvin A" first="Alexandre M. J. J." last="Bonvin">Alexandre M. J. J. Bonvin</name><affiliation><nlm:aff id="A10">Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, Utrecht, 3584 CH, the Netherlands</nlm:aff></affiliation></author><author><name sortKey="Chiu, Wah" sort="Chiu, Wah" uniqKey="Chiu W" first="Wah" last="Chiu">Wah Chiu</name><affiliation><nlm:aff id="A11">National Center for Macromolecular Imaging, Baylor College of Medicine, Houston, TX 77030, USA</nlm:aff></affiliation></author><author><name sortKey="Dal Peraro, Matteo" sort="Dal Peraro, Matteo" uniqKey="Dal Peraro M" first="Matteo" last="Dal Peraro">Matteo Dal Peraro</name><affiliation><nlm:aff id="A12">Institute of Bioengineering, School of Life Sciences, École Polytechnique Fédérale de Lausanne (EPFL) and Swiss Institute of Bioinformatics (SIB), Lausanne, Switzerland</nlm:aff></affiliation></author><author><name sortKey="Di Maio, Frank" sort="Di Maio, Frank" uniqKey="Di Maio F" first="Frank" last="Di Maio">Frank Di Maio</name><affiliation><nlm:aff id="A13">Department of Biochemistry, University of Washington, Seattle, WA 98195-7370</nlm:aff></affiliation></author><author><name sortKey="Ferrin, Thomas E" sort="Ferrin, Thomas E" uniqKey="Ferrin T" first="Thomas E." last="Ferrin">Thomas E. Ferrin</name><affiliation><nlm:aff id="A14">Department of Pharmaceutical Chemistry, Department of Bioengineering and Therapeutic Sciences, California Institute for Quantitative Biosciences, University of California, San Francisco, 600 16<sup>th</sup> Street, San Francisco, CA 94158-2517, USA</nlm:aff></affiliation></author><author><name sortKey="Grunewald, Kay" sort="Grunewald, Kay" uniqKey="Grunewald K" first="Kay" last="Grünewald">Kay Grünewald</name><affiliation><nlm:aff id="A15">Division Of Structural Biology, Wellcome Trust Centre of Human Genetics, University of Oxford OX3 7BN, UK</nlm:aff></affiliation></author><author><name sortKey="Gutmanas, Aleksandras" sort="Gutmanas, Aleksandras" uniqKey="Gutmanas A" first="Aleksandras" last="Gutmanas">Aleksandras Gutmanas</name><affiliation><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></affiliation></author><author><name sortKey="Henderson, Richard" sort="Henderson, Richard" uniqKey="Henderson R" first="Richard" last="Henderson">Richard Henderson</name><affiliation><nlm:aff id="A16">MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, UK</nlm:aff></affiliation></author><author><name sortKey="Hummer, Gerhard" sort="Hummer, Gerhard" uniqKey="Hummer G" first="Gerhard" last="Hummer">Gerhard Hummer</name><affiliation><nlm:aff id="A17">Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue Str. 3, 60438 Frankfurt am Main, Germany</nlm:aff></affiliation></author><author><name sortKey="Iwasaki, Kenji" sort="Iwasaki, Kenji" uniqKey="Iwasaki K" first="Kenji" last="Iwasaki">Kenji Iwasaki</name><affiliation><nlm:aff id="A18">Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</nlm:aff></affiliation></author><author><name sortKey="Johnson, Graham" sort="Johnson, Graham" uniqKey="Johnson G" first="Graham" last="Johnson">Graham Johnson</name><affiliation><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></affiliation></author><author><name sortKey="Lawson, Catherine L" sort="Lawson, Catherine L" uniqKey="Lawson C" first="Catherine L." last="Lawson">Catherine L. Lawson</name><affiliation><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></affiliation></author><author><name sortKey="Meiler, Jens" sort="Meiler, Jens" uniqKey="Meiler J" first="Jens" last="Meiler">Jens Meiler</name><affiliation><nlm:aff id="A20">Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville, TN 37235</nlm:aff></affiliation></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><affiliation><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></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><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></affiliation><affiliation><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></affiliation></author><author><name sortKey="Nilges, Michael" sort="Nilges, Michael" uniqKey="Nilges M" first="Michael" last="Nilges">Michael Nilges</name><affiliation><nlm:aff id="A24">Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris, France</nlm:aff></affiliation><affiliation><nlm:aff id="A25">Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris, France</nlm:aff></affiliation></author><author><name sortKey="Nussinov, Ruth" sort="Nussinov, Ruth" uniqKey="Nussinov R" first="Ruth" last="Nussinov">Ruth Nussinov</name><affiliation><nlm:aff id="A26">Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702, USA</nlm:aff></affiliation><affiliation><nlm:aff id="A27">Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel</nlm:aff></affiliation></author><author><name sortKey="Patwardhan, Ardan" sort="Patwardhan, Ardan" uniqKey="Patwardhan A" first="Ardan" last="Patwardhan">Ardan Patwardhan</name><affiliation><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></affiliation></author><author><name sortKey="Rappsilber, Juri" sort="Rappsilber, Juri" uniqKey="Rappsilber J" first="Juri" last="Rappsilber">Juri Rappsilber</name><affiliation><nlm:aff id="A28">Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF, UK</nlm:aff></affiliation><affiliation><nlm:aff id="A29">Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin, Germany</nlm:aff></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><nlm:aff id="A30">Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK</nlm:aff></affiliation></author><author><name sortKey="Saibil, Helen" sort="Saibil, Helen" uniqKey="Saibil H" first="Helen" last="Saibil">Helen Saibil</name><affiliation><nlm:aff id="A31">Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</nlm:aff></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><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></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><nlm:aff id="A33">Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892-0520, USA</nlm:aff></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><nlm:aff id="A34">Chair for Molecular Physical Chemistry, Heinrich-Heine-Universität, Universitätsstraße 1, 40225 Düsseldorf, Germany</nlm:aff></affiliation></author><author><name sortKey="Svergun, Dmitri" sort="Svergun, Dmitri" uniqKey="Svergun D" first="Dmitri" last="Svergun">Dmitri Svergun</name><affiliation><nlm:aff id="A35">European Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg, Germany</nlm:aff></affiliation></author><author><name sortKey="Topf, Maya" sort="Topf, Maya" uniqKey="Topf M" first="Maya" last="Topf">Maya Topf</name><affiliation><nlm:aff id="A31">Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</nlm:aff></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><nlm:aff id="A7">BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544, USA</nlm:aff></affiliation></author><author><name sortKey="Velankar, Sameer" sort="Velankar, Sameer" uniqKey="Velankar S" first="Sameer" last="Velankar">Sameer Velankar</name><affiliation><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></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><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></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></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><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><pmc article-type="research-article"><pmc-comment>The publisher of this article does not allow downloading of the full text in XML form.</pmc-comment>
<pmc-dir>properties manuscript</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-journal-id">101087697</journal-id><journal-id journal-id-type="pubmed-jr-id">22305</journal-id><journal-id journal-id-type="nlm-ta">Structure</journal-id><journal-id journal-id-type="iso-abbrev">Structure</journal-id><journal-title-group><journal-title>Structure (London, England : 1993)</journal-title></journal-title-group><issn pub-type="ppub">0969-2126</issn><issn pub-type="epub">1878-4186</issn></journal-meta><article-meta><article-id pub-id-type="pmid">26095030</article-id><article-id pub-id-type="pmc">4933300</article-id><article-id pub-id-type="doi">10.1016/j.str.2015.05.013</article-id><article-id pub-id-type="manuscript">NIHMS796797</article-id><article-categories><subj-group subj-group-type="heading"><subject>Article</subject></subj-group></article-categories><title-group><article-title>Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop</article-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Sali</surname><given-names>Andrej</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Berman</surname><given-names>Helen M.</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib><contrib contrib-type="author"><name><surname>Schwede</surname><given-names>Torsten</given-names></name><xref ref-type="aff" rid="A3">3</xref></contrib><contrib contrib-type="author"><name><surname>Trewhella</surname><given-names>Jill</given-names></name><xref ref-type="aff" rid="A4">4</xref></contrib><contrib contrib-type="author"><name><surname>Kleywegt</surname><given-names>Gerard</given-names></name><xref ref-type="aff" rid="A5">5</xref></contrib><contrib contrib-type="author"><name><surname>Burley</surname><given-names>Stephen K.</given-names></name><xref ref-type="aff" rid="A2">2</xref><xref ref-type="aff" rid="A6">6</xref></contrib><contrib contrib-type="author"><name><surname>Markley</surname><given-names>John</given-names></name><xref ref-type="aff" rid="A7">7</xref></contrib><contrib contrib-type="author"><name><surname>Nakamura</surname><given-names>Haruki</given-names></name><xref ref-type="aff" rid="A8">8</xref></contrib><contrib contrib-type="author"><name><surname>Adams</surname><given-names>Paul</given-names></name><xref ref-type="aff" rid="A9">9</xref></contrib><contrib contrib-type="author"><name><surname>Bonvin</surname><given-names>Alexandre M.J.J.</given-names></name><xref ref-type="aff" rid="A10">10</xref></contrib><contrib contrib-type="author"><name><surname>Chiu</surname><given-names>Wah</given-names></name><xref ref-type="aff" rid="A11">11</xref></contrib><contrib contrib-type="author"><name><surname>Dal Peraro</surname><given-names>Matteo</given-names></name><xref ref-type="aff" rid="A12">12</xref></contrib><contrib contrib-type="author"><name><surname>Di Maio</surname><given-names>Frank</given-names></name><xref ref-type="aff" rid="A13">13</xref></contrib><contrib contrib-type="author"><name><surname>Ferrin</surname><given-names>Thomas E.</given-names></name><xref ref-type="aff" rid="A14">14</xref></contrib><contrib contrib-type="author"><name><surname>Grünewald</surname><given-names>Kay</given-names></name><xref ref-type="aff" rid="A15">15</xref></contrib><contrib contrib-type="author"><name><surname>Gutmanas</surname><given-names>Aleksandras</given-names></name><xref ref-type="aff" rid="A5">5</xref></contrib><contrib contrib-type="author"><name><surname>Henderson</surname><given-names>Richard</given-names></name><xref ref-type="aff" rid="A16">16</xref></contrib><contrib contrib-type="author"><name><surname>Hummer</surname><given-names>Gerhard</given-names></name><xref ref-type="aff" rid="A17">17</xref></contrib><contrib contrib-type="author"><name><surname>Iwasaki</surname><given-names>Kenji</given-names></name><xref ref-type="aff" rid="A18">18</xref></contrib><contrib contrib-type="author"><name><surname>Johnson</surname><given-names>Graham</given-names></name><xref ref-type="aff" rid="A19">19</xref></contrib><contrib contrib-type="author"><name><surname>Lawson</surname><given-names>Catherine L.</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib><contrib contrib-type="author"><name><surname>Meiler</surname><given-names>Jens</given-names></name><xref ref-type="aff" rid="A20">20</xref></contrib><contrib contrib-type="author"><name><surname>Marti-Renom</surname><given-names>Marc A.</given-names></name><xref ref-type="aff" rid="A21">21</xref></contrib><contrib contrib-type="author"><name><surname>Montelione</surname><given-names>Gaetano T.</given-names></name><xref ref-type="aff" rid="A22">22</xref><xref ref-type="aff" rid="A23">23</xref></contrib><contrib contrib-type="author"><name><surname>Nilges</surname><given-names>Michael</given-names></name><xref ref-type="aff" rid="A24">24</xref><xref ref-type="aff" rid="A25">25</xref></contrib><contrib contrib-type="author"><name><surname>Nussinov</surname><given-names>Ruth</given-names></name><xref ref-type="aff" rid="A26">26</xref><xref ref-type="aff" rid="A27">27</xref></contrib><contrib contrib-type="author"><name><surname>Patwardhan</surname><given-names>Ardan</given-names></name><xref ref-type="aff" rid="A5">5</xref></contrib><contrib contrib-type="author"><name><surname>Rappsilber</surname><given-names>Juri</given-names></name><xref ref-type="aff" rid="A28">28</xref><xref ref-type="aff" rid="A29">29</xref></contrib><contrib contrib-type="author"><name><surname>Read</surname><given-names>Randy J.</given-names></name><xref ref-type="aff" rid="A30">30</xref></contrib><contrib contrib-type="author"><name><surname>Saibil</surname><given-names>Helen</given-names></name><xref ref-type="aff" rid="A31">31</xref></contrib><contrib contrib-type="author"><name><surname>Schröder</surname><given-names>Gunnar F.</given-names></name><xref ref-type="aff" rid="A32">32</xref></contrib><contrib contrib-type="author"><name><surname>Schwieters</surname><given-names>Charles D.</given-names></name><xref ref-type="aff" rid="A33">33</xref></contrib><contrib contrib-type="author"><name><surname>Seidel</surname><given-names>Claus A. M.</given-names></name><xref ref-type="aff" rid="A34">34</xref></contrib><contrib contrib-type="author"><name><surname>Svergun</surname><given-names>Dmitri</given-names></name><xref ref-type="aff" rid="A35">35</xref></contrib><contrib contrib-type="author"><name><surname>Topf</surname><given-names>Maya</given-names></name><xref ref-type="aff" rid="A31">31</xref></contrib><contrib contrib-type="author"><name><surname>Ulrich</surname><given-names>Eldon L.</given-names></name><xref ref-type="aff" rid="A7">7</xref></contrib><contrib contrib-type="author"><name><surname>Velankar</surname><given-names>Sameer</given-names></name><xref ref-type="aff" rid="A5">5</xref></contrib><contrib contrib-type="author"><name><surname>Westbrook</surname><given-names>John D.</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib></contrib-group><aff id="A1"><label>1</label>Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, California Institute for Quantitative Biosciences, Byers Hall Room 503B, University of California, San Francisco, 1700 4th Street, San Francisco, CA 94158-2330, USA</aff><aff id="A2"><label>2</label>Research Collaboratory for Structural Bioinformatics Protein Data Bank, Center for Integrative Proteomics Research, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</aff><aff id="A3"><label>3</label>SIB Swiss Institute of Bioinformatics; Biozentrum, University of Basel, Klingelbergstrasse 50-70, CH-4056 Basel, Switzerland</aff><aff id="A4"><label>4</label>School of Molecular Bioscience, The University of Sydney, NSW 2006, Australia</aff><aff id="A5"><label>5</label>Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom</aff><aff id="A6"><label>6</label>Skaggs School of Pharmacy and Pharmaceutical Sciences and San Diego Supercomputer Center, University of California, San Diego, La Jolla, CA 92093, USA</aff><aff id="A7"><label>7</label>BioMagResBank, Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706-1544, USA</aff><aff id="A8"><label>8</label>Protein Data Bank Japan, Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</aff><aff id="A9"><label>9</label>Physical Biosciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720-8235, USA, and Department of Bioengineering, UC Berkeley, Berkeley, CA 94720, USA</aff><aff id="A10"><label>10</label>Bijvoet Center for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, Utrecht, 3584 CH, the Netherlands</aff><aff id="A11"><label>11</label>National Center for Macromolecular Imaging, Baylor College of Medicine, Houston, TX 77030, USA</aff><aff id="A12"><label>12</label>Institute of Bioengineering, School of Life Sciences, École Polytechnique Fédérale de Lausanne (EPFL) and Swiss Institute of Bioinformatics (SIB), Lausanne, Switzerland</aff><aff id="A13"><label>13</label>Department of Biochemistry, University of Washington, Seattle, WA 98195-7370</aff><aff id="A14"><label>14</label>Department of Pharmaceutical Chemistry, Department of Bioengineering and Therapeutic Sciences, California Institute for Quantitative Biosciences, University of California, San Francisco, 600 16<sup>th</sup> Street, San Francisco, CA 94158-2517, USA</aff><aff id="A15"><label>15</label>Division Of Structural Biology, Wellcome Trust Centre of Human Genetics, University of Oxford OX3 7BN, UK</aff><aff id="A16"><label>16</label>MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, UK</aff><aff id="A17"><label>17</label>Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue Str. 3, 60438 Frankfurt am Main, Germany</aff><aff id="A18"><label>18</label>Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan</aff><aff id="A19"><label>19</label>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</aff><aff id="A20"><label>20</label>Department of Chemistry, Center for Structural Biology, Vanderbilt University, Nashville, TN 37235</aff><aff id="A21"><label>21</label>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</aff><aff id="A22"><label>22</label>Center for Advanced Biotechnology and Medicine, and Department of Molecular Biology and Biochemistry, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</aff><aff id="A23"><label>23</label>Department of Biochemistry, Robert Wood Johnson Medical School, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA</aff><aff id="A24"><label>24</label>Département de Biologie Structurale et Chimie, Unité de Bioinformatique Structurale, Institut Pasteur, F-75015 Paris, France</aff><aff id="A25"><label>25</label>Unité Mixte de Recherche 3258, Centre National de la Recherche Scientifique, F-75015 Paris, France</aff><aff id="A26"><label>26</label>Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National laboratory, National Cancer Institute, Frederick, MD 21702, USA</aff><aff id="A27"><label>27</label>Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel</aff><aff id="A28"><label>28</label>Wellcome Trust Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Edinburgh EH9 3BF, UK</aff><aff id="A29"><label>29</label>Department of Bioanalytics, Institute of Biotechnology, Technische Universität Berlin, 13355 Berlin, Germany</aff><aff id="A30"><label>30</label>Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK</aff><aff id="A31"><label>31</label>Institute of Structural and Molecular Biology, Department of Biological Sciences, Birkbeck College, Malet St, London WC1E 7HX, UK</aff><aff id="A32"><label>32</label>Institute of Complex Systems (ICS-6), Forschungszentrum Jülich, 52425 Jülich, Germany and Physics Department, Heinrich-Heine University Düsseldorf, 40225 Düsseldorf, Germany</aff><aff id="A33"><label>33</label>Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892-0520, USA</aff><aff id="A34"><label>34</label>Chair for Molecular Physical Chemistry, Heinrich-Heine-Universität, Universitätsstraße 1, 40225 Düsseldorf, Germany</aff><aff id="A35"><label>35</label>European Molecular Biology Laboratory, Hamburg Unit, Notkestrasse 85, 22607 Hamburg, Germany</aff><pub-date pub-type="nihms-submitted"><day>24</day><month>6</month><year>2016</year></pub-date><pub-date pub-type="epub"><day>18</day><month>6</month><year>2015</year></pub-date><pub-date pub-type="ppub"><day>7</day><month>7</month><year>2015</year></pub-date><pub-date pub-type="pmc-release"><day>07</day><month>7</month><year>2016</year></pub-date><volume>23</volume><issue>7</issue><fpage>1156</fpage><lpage>1167</lpage><pmc-comment>elocation-id from pubmed: 10.1016/j.str.2015.05.013</pmc-comment>
<abstract><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></abstract><kwd-group><kwd>integrative modeling</kwd><kwd>hybrid modeling</kwd><kwd>integrative structural biology</kwd><kwd>Protein Data Bank</kwd></kwd-group></article-meta></front></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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