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

Helen M. Berman; Paul D. Adams; Alexandre A. Bonvin; Stephen K. Burley; Bridget Carragher; Wah Chiu; Frank DiMaio; Thomas E. Ferrin; Margaret J. Gabanyi; Thomas D. Goddard; Patrick R. Griffin; Juergen Haas; Christian A. Hanke; Jeffrey C. Hoch; Gerhard Hummer; Genji Kurisu; Catherine L. Lawson; Alexander Leitner; John L. Markley; Jens Meiler; Gaetano T. Montelione; George N. Phillips; Thomas Prisner; Juri Rappsilber; David C. Schriemer; Torsten Schwede; Claus A.M. Seidel; Timothy S. Strutzenberg; Dmitri I. Svergun; Emad Tajkhorshid; Jill Trewhella; Brinda Vallat; Sameer Velankar; Geerten W. Vuister; Benjamin Webb; John D. Westbrook; Kate L. White; Andrej Sali

doi:10.1016/j.str.2019.11.002

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

Helen M. Berman, Paul D. Adams, Alexandre A. Bonvin, Stephen K. Burley, Bridget Carragher, Wah Chiu, Frank DiMaio, Thomas E. Ferrin, Margaret J. Gabanyi, Thomas D. Goddard, Patrick R. Griffin, Juergen Haas, Christian A. Hanke, Jeffrey C. Hoch, Gerhard Hummer, Genji Kurisu, Catherine L. Lawson, Alexander Leitner, John L. Markley, Jens MeilerGaetano T. Montelione, George N. Phillips, Thomas Prisner, Juri Rappsilber, David C. Schriemer, Torsten Schwede, Claus A.M. Seidel, Timothy S. Strutzenberg, Dmitri I. Svergun, Emad Tajkhorshid, Jill Trewhella, Brinda Vallat, Sameer Velankar, Geerten W. Vuister, Benjamin Webb, John D. Westbrook, Kate L. White, Andrej Sali

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Abstract

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.

Original language	English (US)
Pages (from-to)	1745-1759
Number of pages	15
Journal	Structure
Volume	27
Issue number	12
DOIs	https://doi.org/10.1016/j.str.2019.11.002
State	Published - Dec 3 2019

ASJC Scopus subject areas

Structural Biology
Molecular Biology

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10.1016/j.str.2019.11.002

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Berman, H. M., Adams, P. D., Bonvin, A. A., Burley, S. K., Carragher, B., Chiu, W., DiMaio, F., Ferrin, T. E., Gabanyi, M. J., Goddard, T. D., Griffin, P. R., Haas, J., Hanke, C. A., Hoch, J. C., Hummer, G., Kurisu, G., Lawson, C. L., Leitner, A., Markley, J. L., ... Sali, A. (2019). Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. Structure, 27(12), 1745-1759. https://doi.org/10.1016/j.str.2019.11.002

Berman, HM, Adams, PD, Bonvin, AA, Burley, SK, Carragher, B, Chiu, W, DiMaio, F, Ferrin, TE, Gabanyi, MJ, Goddard, TD, Griffin, PR, Haas, J, Hanke, CA, Hoch, JC, Hummer, G, Kurisu, G, Lawson, CL, Leitner, A, Markley, JL, Meiler, J, Montelione, GT, Phillips, GN, Prisner, T, Rappsilber, J, Schriemer, DC, Schwede, T, Seidel, CAM, Strutzenberg, TS, Svergun, DI, Tajkhorshid, E, Trewhella, J, Vallat, B, Velankar, S, Vuister, GW, Webb, B, Westbrook, JD, White, KL & Sali, A 2019, 'Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures', Structure, vol. 27, no. 12, pp. 1745-1759. https://doi.org/10.1016/j.str.2019.11.002

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title = "Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures",

abstract = "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.",

author = "Berman, {Helen M.} and Adams, {Paul D.} and Bonvin, {Alexandre A.} and Burley, {Stephen K.} and Bridget Carragher and Wah Chiu and Frank DiMaio and Ferrin, {Thomas E.} and Gabanyi, {Margaret J.} and Goddard, {Thomas D.} and Griffin, {Patrick R.} and Juergen Haas and Hanke, {Christian A.} and Hoch, {Jeffrey C.} and Gerhard Hummer and Genji Kurisu and Lawson, {Catherine L.} and Alexander Leitner and Markley, {John L.} and Jens Meiler and Montelione, {Gaetano T.} and Phillips, {George N.} and Thomas Prisner and Juri Rappsilber and Schriemer, {David C.} and Torsten Schwede and Seidel, {Claus A.M.} and Strutzenberg, {Timothy S.} and Svergun, {Dmitri I.} and Emad Tajkhorshid and Jill Trewhella and Brinda Vallat and Sameer Velankar and Vuister, {Geerten W.} and Benjamin Webb and Westbrook, {John D.} and White, {Kate L.} and Andrej Sali",

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doi = "10.1016/j.str.2019.11.002",

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AU - Berman, Helen M.

AU - Adams, Paul D.

AU - Bonvin, Alexandre A.

AU - Burley, Stephen K.

AU - Carragher, Bridget

AU - Chiu, Wah

AU - DiMaio, Frank

AU - Ferrin, Thomas E.

AU - Gabanyi, Margaret J.

AU - Goddard, Thomas D.

AU - Griffin, Patrick R.

AU - Haas, Juergen

AU - Hanke, Christian A.

AU - Hoch, Jeffrey C.

AU - Hummer, Gerhard

AU - Kurisu, Genji

AU - Lawson, Catherine L.

AU - Leitner, Alexander

AU - Markley, John L.

AU - Meiler, Jens

AU - Montelione, Gaetano T.

AU - Phillips, George N.

AU - Prisner, Thomas

AU - Rappsilber, Juri

AU - Schriemer, David C.

AU - Schwede, Torsten

AU - Seidel, Claus A.M.

AU - Strutzenberg, Timothy S.

AU - Svergun, Dmitri I.

AU - Tajkhorshid, Emad

AU - Trewhella, Jill

AU - Vallat, Brinda

AU - Velankar, Sameer

AU - Vuister, Geerten W.

AU - Webb, Benjamin

AU - Westbrook, John D.

AU - White, Kate L.

AU - Sali, Andrej

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

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