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

Andrej Sali; Helen M. Berman; Torsten Schwede; Jill Trewhella; Gerard Kleywegt; Stephen K. Burley; John Markley; Haruki Nakamura; Paul Adams; Alexandre M J J Bonvin; Wah Chiu; Matteo Dal Peraro; Frank Di Maio; Thomas E. Ferrin; Kay Grünewald; Aleksandras Gutmanas; Richard Henderson; Gerhard Hummer; Kenji Iwasaki; Graham Johnson; Catherine L. Lawson; Jens Meiler; Marc A. Marti-Renom; Gaetano T. Montelione; Michael Nilges; Ruth Nussinov; Ardan Patwardhan; Juri Rappsilber; Randy J. Read; Helen Saibil; Gunnar F. Schröder; Charles D. Schwieters; Claus A M Seidel; Dmitri Svergun; Maya Topf; Eldon L. Ulrich; Sameer Velankar; John D. Westbrook

doi:10.1016/j.str.2015.05.013

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

Andrej Sali^*, Helen M. Berman, Torsten Schwede, Jill Trewhella, Gerard Kleywegt, Stephen K. Burley, John Markley, Haruki Nakamura, Paul Adams, Alexandre M J J Bonvin, Wah Chiu, Matteo Dal Peraro, Frank Di Maio, Thomas E. Ferrin, Kay Grünewald, Aleksandras Gutmanas, Richard Henderson, Gerhard Hummer, Kenji Iwasaki, Graham JohnsonCatherine L. Lawson, Jens Meiler, Marc A. Marti-Renom, Gaetano T. Montelione, Michael Nilges, Ruth Nussinov, Ardan Patwardhan, Juri Rappsilber, Randy J. Read, Helen Saibil, Gunnar F. Schröder, Charles D. Schwieters, Claus A M Seidel, Dmitri Svergun, Maya Topf, Eldon L. Ulrich, Sameer Velankar, John D. Westbrook

^*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

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?

Original language	English
Article number	3197
Pages (from-to)	1156-1167
Number of pages	12
Journal	Structure
Volume	23
Issue number	7
DOIs	https://doi.org/10.1016/j.str.2015.05.013
Publication status	Published - 7 Jul 2015

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Sali, A., Berman, H. M., Schwede, T., Trewhella, J., Kleywegt, G., Burley, S. K., Markley, J., Nakamura, H., Adams, P., Bonvin, A. M. J. J., Chiu, W., Peraro, M. D., Di Maio, F., Ferrin, T. E., Grünewald, K., Gutmanas, A., Henderson, R., Hummer, G., Iwasaki, K., ... Westbrook, J. D. (2015). Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. Structure, 23(7), 1156-1167. Article 3197. https://doi.org/10.1016/j.str.2015.05.013

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title = "Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop",

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?",

author = "Andrej Sali and Berman, {Helen M.} and Torsten Schwede and Jill Trewhella and Gerard Kleywegt and Burley, {Stephen K.} and John Markley and Haruki Nakamura and Paul Adams and Bonvin, {Alexandre M J J} and Wah Chiu and Peraro, {Matteo Dal} and {Di Maio}, Frank and Ferrin, {Thomas E.} and Kay Gr{\"u}newald and Aleksandras Gutmanas and Richard Henderson and Gerhard Hummer and Kenji Iwasaki and Graham Johnson and Lawson, {Catherine L.} and Jens Meiler and Marti-Renom, {Marc A.} and Montelione, {Gaetano T.} and Michael Nilges and Ruth Nussinov and Ardan Patwardhan and Juri Rappsilber and Read, {Randy J.} and Helen Saibil and Schr{\"o}der, {Gunnar F.} and Schwieters, {Charles D.} and Seidel, {Claus A M} and Dmitri Svergun and Maya Topf and Ulrich, {Eldon L.} and Sameer Velankar and Westbrook, {John D.}",

year = "2015",

month = jul,

day = "7",

doi = "10.1016/j.str.2015.05.013",

language = "English",

volume = "23",

pages = "1156--1167",

journal = "Structure",

issn = "0969-2126",

publisher = "Cell Press",

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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 2015, 'Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop', Structure, vol. 23, no. 7, 3197, pp. 1156-1167. https://doi.org/10.1016/j.str.2015.05.013

TY - JOUR

T1 - Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

AU - Sali, Andrej

AU - Berman, Helen M.

AU - Schwede, Torsten

AU - Trewhella, Jill

AU - Kleywegt, Gerard

AU - Burley, Stephen K.

AU - Markley, John

AU - Nakamura, Haruki

AU - Adams, Paul

AU - Bonvin, Alexandre M J J

AU - Chiu, Wah

AU - Peraro, Matteo Dal

AU - Di Maio, Frank

AU - Ferrin, Thomas E.

AU - Grünewald, Kay

AU - Gutmanas, Aleksandras

AU - Henderson, Richard

AU - Hummer, Gerhard

AU - Iwasaki, Kenji

AU - Johnson, Graham

AU - Lawson, Catherine L.

AU - Meiler, Jens

AU - Marti-Renom, Marc A.

AU - Montelione, Gaetano T.

AU - Nilges, Michael

AU - Nussinov, Ruth

AU - Patwardhan, Ardan

AU - Rappsilber, Juri

AU - Read, Randy J.

AU - Saibil, Helen

AU - Schröder, Gunnar F.

AU - Schwieters, Charles D.

AU - Seidel, Claus A M

AU - Svergun, Dmitri

AU - Topf, Maya

AU - Ulrich, Eldon L.

AU - Velankar, Sameer

AU - Westbrook, John D.

PY - 2015/7/7

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N2 - 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?

AB - 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?

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DO - 10.1016/j.str.2015.05.013

M3 - Article

AN - SCOPUS:84936847521

SN - 0969-2126

VL - 23

SP - 1156

EP - 1167

JO - Structure

JF - Structure

IS - 7

M1 - 3197

ER -

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

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