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)

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

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?

Domains: Computer Science [cs]; Bioinformatics [q-bio.QM]

Andrej Sali, Helen M Berman, Torsten Schwede, Jill Trewhella, Gerard Kleywegt, et al.. Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop.. Structure, 2015, 23 (7), pp.1156-67. ⟨10.1016/j.str.2015.05.013⟩. ⟨pasteur-01300943⟩