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Modeling SARS-CoV-2 proteins in the CASP-commons experiment

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dc.contributor.author Kryshtafovych, Andriy
dc.contributor.author Moult, John
dc.contributor.author Billings, Wendy M.
dc.contributor.author Della Corte, Dennis
dc.contributor.author Fidelis, Krzysztof
dc.contributor.author Kwon, Sohee
dc.contributor.author Olechnovič, Kliment
dc.contributor.author Seok, Chaok
dc.contributor.author Venclovas, Česlovas
dc.contributor.author Won, Jonghun
dc.contributor.author CASP-COVID participants
dc.date.accessioned 2023-03-23T07:04:21Z
dc.date.available 2023-03-23T07:04:21Z
dc.date.issued 2021
dc.identifier.citation Kryshtafovych A, Moult J, Billings WM, Della Corte D, Fidelis K, Kwon S, Olechnovič K, Seok C, Venclovas Č, Won J; CASP-COVID participants. Modeling SARS-CoV-2 proteins in the CASP-commons experiment. Proteins. 2021 Dec;89(12):1987-96. DOI: 10.1002/prot.26231
dc.identifier.issn 0887-3585
dc.identifier.uri http://hdl.handle.net/10230/56327
dc.description.abstract Critical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on 10 proteins. The resulting models were released to the public. CASP community members also worked together to provide estimates of local and global accuracy and identify structure-based domain boundaries for some proteins. Subsequently, two of these structures (ORF3a and ORF8) have been solved experimentally, allowing assessment of both model quality and the accuracy estimates. Models from the AlphaFold2 group were found to have good agreement with the experimental structures, with main chain GDT_TS accuracy scores ranging from 63 (a correct topology) to 87 (competitive with experiment).
dc.format.mimetype application/pdf
dc.language.iso eng
dc.publisher Wiley
dc.relation.ispartof Proteins. 2021 Dec;89(12):1987-96
dc.rights This is the peer reviewed version of the following article: Kryshtafovych A, Moult J, Billings WM, Della Corte D, Fidelis K, Kwon S, Olechnovič K, Seok C, Venclovas Č, Won J; CASP-COVID participants. Modeling SARS-CoV-2 proteins in the CASP-commons experiment. Proteins. 2021 Dec;89(12):1987-96. DOI: 10.1002/prot.26231, which has been published in final form at http://dx.doi.org/10.1002/prot.26231. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
dc.title Modeling SARS-CoV-2 proteins in the CASP-commons experiment
dc.type info:eu-repo/semantics/article
dc.identifier.doi http://dx.doi.org/10.1002/prot.26231
dc.subject.keyword CASP
dc.subject.keyword COVID
dc.subject.keyword EMA
dc.subject.keyword SARS-CoV-2
dc.subject.keyword Model accuracy
dc.subject.keyword Protein structure prediction
dc.rights.accessRights info:eu-repo/semantics/openAccess
dc.type.version info:eu-repo/semantics/acceptedVersion

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