Critical assessment of methods of protein structure prediction (CASP)—Round XIV

Critical assessment of structure prediction (CASP) is a community experiment to advance methods of computing three‐dimensional protein structure from amino acid sequence. Core components are rigorous blind testing of methods and evaluation of the results by independent assessors. In the most recent...

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Bibliographic Details
Published in:Proteins, structure, function, and bioinformatics Vol. 89; no. 12; pp. 1607 - 1617
Main Authors: Kryshtafovych, Andriy, Schwede, Torsten, Topf, Maya, Fidelis, Krzysztof, Moult, John
Format: Journal Article
Language:English
Published: Hoboken, USA John Wiley & Sons, Inc 01.12.2021
Wiley Subscription Services, Inc
Subjects:
Alphafold
Amino Acid Sequence
Amino acids
CASP
community wide experiment
Computational Biology
Crystal structure
Deep learning
Model accuracy
Models, Statistical
Molecular Dynamics Simulation
Predictions
Protein Conformation
Protein Folding
Protein structure
protein structure prediction
Proteins
Proteins - chemistry
Proteins - metabolism
Sequence Analysis, Protein
Software
Alphafold
community wide experiment
protein folding
CASP
protein structure prediction
ISSN:0887-3585, 1097-0134, 1097-0134
Online Access:Get full text
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Summary:Critical assessment of structure prediction (CASP) is a community experiment to advance methods of computing three‐dimensional protein structure from amino acid sequence. Core components are rigorous blind testing of methods and evaluation of the results by independent assessors. In the most recent experiment (CASP14), deep‐learning methods from one research group consistently delivered computed structures rivaling the corresponding experimental ones in accuracy. In this sense, the results represent a solution to the classical protein‐folding problem, at least for single proteins. The models have already been shown to be capable of providing solutions for problematic crystal structures, and there are broad implications for the rest of structural biology. Other research groups also substantially improved performance. Here, we describe these results and outline some of the many implications. Other related areas of CASP, including modeling of protein complexes, structure refinement, estimation of model accuracy, and prediction of inter‐residue contacts and distances, are also described.
Bibliography:Funding information
National Institute of General Medical Sciences, Grant/Award Number: R01GM100482
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ISSN:0887-3585
1097-0134
1097-0134
DOI:10.1002/prot.26237