Evaluation of AlphaFold Antibody-Antigen Modeling with Implications for Improving Predictive Accuracy.

ABSTRACT: High resolution antibody-antigen structures provide critical insights into immune recognition and can inform therapeutic design. The challenges of experimental structural determination and the diversity of the immune repertoire underscore the necessity of accurate computational tools for modeling antibody-antigen complexes. Initial benchmarking showed that despite overall success in modeling protein-protein complexes, AlphaFold and AlphaFold-Multimer have limited success in modeling antibody-antigen interactions. In this study, we performed a thorough analysis of AlphaFold's antibody-antigen modeling performance on 429 nonredundant antibody-antigen complex structures, identifying useful confidence metrics for predicting model quality, and features of complexes associated with improved mode

SUBMITTER: Yin R 

PROVIDER: S-EPMC10349958 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature