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.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.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.doi http://dx.doi.org/10.1002/prot.26231
- dc.identifier.issn 0887-3585
- dc.identifier.uri http://hdl.handle.net/10230/56327
- 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.rights.accessRights info:eu-repo/semantics/openAccess
- 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.title Modeling SARS-CoV-2 proteins in the CASP-commons experiment
- dc.type info:eu-repo/semantics/article
- dc.type.version info:eu-repo/semantics/acceptedVersion