Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop.
Sali A., Berman HM., Schwede T., Trewhella J., Kleywegt G., Burley SK., Markley J., Nakamura H., Adams P., Bonvin AMJJ., Chiu W., Peraro MD., Di Maio F., Ferrin TE., Grünewald K., Gutmanas A., Henderson R., Hummer G., Iwasaki K., Johnson G., Lawson CL., Meiler J., Marti-Renom MA., Montelione GT., Nilges M., Nussinov R., Patwardhan A., Rappsilber J., Read RJ., Saibil H., Schröder GF., Schwieters CD., Seidel CAM., Svergun D., Topf M., Ulrich EL., Velankar S., Westbrook JD.
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?