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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12

Lookup NU author(s): Professor Jaume Bacardit, Dr Otti CrozeORCiD

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This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

Abstract

© 2018 The Author(s). Every two years groups worldwide participate in the Critical Assessment of Protein Structure Prediction (CASP) experiment to blindly test the strengths and weaknesses of their computational methods. CASP has significantly advanced the field but many hurdles still remain, which may require new ideas and collaborations. In 2012 a web-based effort called WeFold, was initiated to promote collaboration within the CASP community and attract researchers from other fields to contribute new ideas to CASP. Members of the WeFold coopetition (cooperation and competition) participated in CASP as individual teams, but also shared components of their methods to create hybrid pipelines and actively contributed to this effort. We assert that the scale and diversity of integrative prediction pipelines could not have been achieved by any individual lab or even by any collaboration among a few partners. The models contributed by the participating groups and generated by the pipelines are publicly available at the WeFold website providing a wealth of data that remains to be tapped. Here, we analyze the results of the 2014 and 2016 pipelines showing improvements according to the CASP assessment as well as areas that require further adjustments and research.

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Author(s): Keasar C, McGuffin LJ, Wallner B, Chopra G, Adhikari B, Bhattacharya D, Blake L, Bortot LO, Cao R, Dhanasekaran BK, Dimas I, Faccioli RA, Faraggi E, Ganzynkowicz R, Ghosh S, Ghosh S, Gieldon A, Golon L, He Y, Heo L, Hou J, Khan M, Khatib F, Khoury GA, Kieslich C, Kim DE, Krupa P, Lee GR, Li H, Li J, Lipska A, Liwo A, Maghrabi AHA, Mirdita M, Mirzaei S, Mozolewska MA, Onel M, Ovchinnikov S, Shah A, Shah U, Sidi T, Sieradzan AK, Slusarz M, Slusarz R, Smadbeck J, Tamamis P, Trieber N, Wirecki T, Yin Y, Zhang Y, Bacardit J, Baranowski M, Chapman N, Cooper S, Defelicibus A, Flatten J, Koepnick B, Popovic Z, Zaborowski B, Baker D, Cheng J, Czaplewski C, Delbem ACB, Floudas C, Kloczkowski A, Oldziej S, Levitt M, Scheraga H, Seok C, Soding J, Vishveshwara S, Xu D, Caglar A, Coral A, MacMillan A, Lubow A, Failer B, Kestemont B, Landers CR, Painter CR, Garnier C, Sellin C, Janz D, Wheeler DC, Simon V, Flear DM, Croze E, McIlvaine GV, Beecher G, Lawrie G, Ykman G, Feldmann H, Fuentes HK, Terumasa H, Kovanecz I, Longino JA, Nijland JH, Diderich JA, Canfield JM, Eriksson J, Slone JD, Appel JG, Mitchell J, Mitch J, Loots-Boiy J, Brownlee JM, Wilson K, Clayton KT, Deford KE, Abbey KJ, Withers L, Wei L, Ives L, Miller LA, Carpenter L, Sharma MG, Ricci M, Binfield MS, Davids MJ, Gaebel M, Cassidy MD, Fagiola M, Pfutzenreuter M, Barlow N, Triggiani PJ, Innes RBM, Leduc R, Dos Santos Gomes RLC, Morneau RLR, Zaccanelli SJ, Kleinfelter SC, Van Der Laan TJA, Bausewein T, George TJ, Mikhail V, Barmettler W, Crivelli SN

Publication type: Article

Publication status: Published

Journal: Scientific Reports

Year: 2018

Volume: 8

Issue: 1

Online publication date: 02/07/2018

Acceptance date: 17/05/2018

Date deposited: 16/07/2018

ISSN (electronic): 2045-2322

Publisher: Nature Publishing Group

URL: https://doi.org/10.1038/s41598-018-26812-8

DOI: 10.1038/s41598-018-26812-8

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