Assessing the accuracy of contact and distance predictions in CASP14

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS(2021)

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摘要
We present the results of the assessment of the intramolecular residue-residue contact and distance predictions from groups participating in the 14th round of the CASP experiment. The performance of contact prediction methods was evaluated with the measures used in previous CASPs, while distance predictions were assessed based on a new protocol, which considers individual distance pairs as well as the whole predicted distance matrix, using a graph-based framework. The results of the evaluation indicate that predictions by the tFold framework, TripletRes and DeepPotential were the most accurate in both categories. With regards to progress in method performance, the results of the assessment in contact prediction did not reveal any discernible difference when compared to CASP13. Arguably, this could be due to CASP14 FM targets being more challenging than ever before.
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关键词
CASP14, community-wide experiment, benchmarkin, prediction of residue-residue contact and distance, numerical evaluation measures
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