Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures

• Published in: Structure (London) Vol. 27; no. 12; pp. 1745 - 1759
• Main Authors: Berman, Helen M., Adams, Paul D., Bonvin, Alexandre A., Burley, Stephen K., Carragher, Bridget, Chiu, Wah, DiMaio, Frank, Ferrin, Thomas E., Gabanyi, Margaret J., Goddard, Thomas D., Griffin, Patrick R., Haas, Juergen, Hanke, Christian A., Hoch, Jeffrey C., Hummer, Gerhard, Kurisu, Genji, Lawson, Catherine L., Leitner, Alexander, Markley, John L., Meiler, Jens, Montelione, Gaetano T., Phillips, George N., Prisner, Thomas, Rappsilber, Juri, Schriemer, David C., Schwede, Torsten, Seidel, Claus A.M., Strutzenberg, Timothy S., Svergun, Dmitri I., Tajkhorshid, Emad, Trewhella, Jill, Vallat, Brinda, Velankar, Sameer, Vuister, Geerten W., Webb, Benjamin, Westbrook, John D., White, Kate L., Sali, Andrej
• Format: Journal Article
• Language: English
• Published: United States Elsevier Ltd 03.12.2019; Elsevier
• Subjects: BASIC BIOLOGICAL SCIENCES; Computational Biology - methods; Crystallography, X-Ray; Databases, Protein; KNOWLEDGE MANAGEMENT AND PRESERVATION; Magnetic Resonance Spectroscopy; Models, Molecular; Protein Conformation; Proteins - chemistry
• ISSN: 0969-2126; 1878-4186
• DOI: 10.1016/j.str.2019.11.002

Structures of biomolecular systems are increasingly computed by integrative modeling. In this approach, a structural model is constructed by combining information from multiple sources, including varied experimental methods and prior models. In 2019, a Workshop was held as a Biophysical Society Satellite Meeting to assess progress and discuss further requirements for archiving integrative structures. The primary goal of the Workshop was to build consensus for addressing the challenges involved in creating common data standards, building methods for federated data exchange, and developing mechanisms for validating integrative structures. The summary of the Workshop and the recommendations that emerged are presented here. Structures of biomolecular systems are increasingly computed by integrative modeling based on multiple types of data. In 2019, a Workshop was held to assess progress and discuss further requirements for archiving integrative structures. The summary of the Workshop and the recommendations that emerged are presented here.