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

Andrej Sali ^{1, *} Helen M Berman ² Torsten Schwede Jill Trewhella ³ Gerard Kleywegt ⁴ Stephen K Burley ^{2, 5} John Markley ⁶ Haruki Nakamura ⁷ Paul Adams ^{8, 9} Alexandre M J J Bonvin ¹⁰ Wah Chiu ^{11, 12} Matteo Dal Peraro ¹³ Frank Di Maio ¹⁴ Thomas E Ferrin ¹ Kay Grünewald ¹⁵ Aleksandras Gutmanas ⁴ Richard Henderson ¹⁶ Gerhard Hummer ¹⁷ Kenji Iwasaki ⁷ Graham Johnson ¹ Catherine L Lawson ² Jens Meiler ¹⁸ Marc A Marti-Renom ¹⁹ Gaetano T Montelione ²⁰ Michael Nilges ²¹ Ruth Nussinov ^{22, 23} Ardan Patwardhan ⁴ Juri Rappsilber ^{24, 25} Randy J Read ²⁶ Helen Saibil ²⁷ Gunnar F Schröder ^{28, 29} Charles D Schwieters ³⁰ Claus A.M. Seidel ³¹ Dmitri Svergun Maya Topf ²⁷ Eldon L Ulrich ⁶ Sameer Velankar ⁴ John D Westbrook ²

* Corresponding author

1 Department of Bioengineering and Therapeutic Sciences

2 Research Collaboratory for Structural Bioinformatics Protein Data Bank

3 School of Molecular and Microbial Biosciences

4 Protein Data Bank in Europe, European Molecular Biology Laboratory

5 Skaggs School of Pharmacy and Pharmaceutical Sciences and San Diego Supercomputer Center

6 BioMagResBank, Department of Biochemistry

7 Institute for Protein Research [Osaka]

8 Physical Biosciences Division [LBNL Berkeley]

9 Department of Bioengineering

10 Bijvoet Center for Biomolecular Research [Utrecht]

11 National Center for Environmental Assessment

12 National Center for Macromolecular Imaging

13 Institute of Bioengineering

14 Department of Biochemistry [Washington ]

15 Division of Structural Biology

16 Laboratory of Molecular Biology [Cambridge]

17 Department of Theoretical Biophysics [Frankfurt am Main]

18 Department of Chemistry, Center for Structural Biology

19 Genome Biology Group, Centre Nacional d'Anàlisi Genòmica (CNAG), Gene Regulation, Stem Cells and Cancer Program

20 Department of Biochemistry

21 Bioinformatique structurale - Structural Bioinformatics

22 Cancer and Inflammation Program, Leidos Biomedical Research Inc., Frederick National Laboratory

23 Department of Human Molecular Genetics and Biochemistry

24 Wellcome Trust Centre for Cell Biology

25 Department of Bioanalytics

26 Department of Haematology

27 Department of Biological Sciences

28 ICS - Institute of Complex Systems

29 Physics Department [Düsseldorf]

30 Division of Computational Bioscience

31 Chair for Molecular Physical Chemistry

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, on 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?

Document type :

Journal articles

Domain :

Computer Science [cs] / Bioinformatics [q-bio.QM]

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Submitted on : Monday, April 11, 2016 - 3:32:55 PM
Last modification on : Wednesday, November 30, 2022 - 11:22:07 AM