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  High-accuracy protein structure prediction in CASP14

Pereira, J., Simpkin, A., Hartmann, M., Rigden, D., Keegan, R., & Lupas, A. (2021). High-accuracy protein structure prediction in CASP14. Proteins: Structure, Function, and Bioinformatics, 89(12), 1687-1699. doi:10.1002/prot.26171.

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Pereira, J1, Autor           
Simpkin, AJ, Autor
Hartmann, MD1, 2, Autor           
Rigden, DJ, Autor
Keegan, RM, Autor
Lupas, AN1, Autor           
Affiliations:
1Department Protein Evolution, Max Planck Institute for Developmental Biology, Max Planck Society, ou_3375791              
2Molecular Recognition and Catalysis Group, Department Protein Evolution, Max Planck Institute for Developmental Biology, Max Planck Society, ou_3477392              

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 Zusammenfassung: The application of state-of-the-art deep-learning approaches to the protein modeling problem has expanded the "high-accuracy" category in CASP14 to encompass all targets. Building on the metrics used for high-accuracy assessment in previous CASPs, we evaluated the performance of all groups that submitted models for at least 10 targets across all difficulty classes, and judged the usefulness of those produced by AlphaFold2 (AF2) as molecular replacement search models with AMPLE. Driven by the qualitative diversity of the targets submitted to CASP, we also introduce DipDiff as a new measure for the improvement in backbone geometry provided by a model versus available templates. Although a large leap in high-accuracy is seen due to AF2, the second-best method in CASP14 out-performed the best in CASP13, illustrating the role of community-based benchmarking in the development and evolution of the protein structure prediction field.

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 Datum: 2021-12
 Publikationsstatus: Erschienen
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 Identifikatoren: DOI: 10.1002/prot.26171
PMID: 34218458
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Titel: Proteins: Structure, Function, and Bioinformatics
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: New York, NY : John Wiley & Sons
Seiten: - Band / Heft: 89 (12) Artikelnummer: - Start- / Endseite: 1687 - 1699 Identifikator: ISSN: 0887-3585
CoNE: https://pure.mpg.de/cone/journals/resource/954925553393_1