Improved Antibody-Specific Epitope Prediction Using AlphaFold and AbAdapt.

ABSTRACT: Antibodies recognize their cognate antigens with high affinity and specificity, but the prediction of binding sites on the antigen (epitope) corresponding to a specific antibody remains a challenging problem. To address this problem, we developed AbAdapt, a pipeline that integrates antibody and antigen structural modeling with rigid docking in order to derive antibody-antigen specific features for epitope prediction. In this study, we systematically assessed the impact of integrating the state-of-the-art protein modeling method AlphaFold with the AbAdapt pipeline. By incorporating more accurate antibody models, we observed improvement in docking, paratope prediction, and prediction of antibody-specific epitopes. We further applied AbAdapt-AF in an anti-receptor binding domain (RBD) antibod

SUBMITTER: Xu Z 

PROVIDER: S-EPMC9543094 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature