ParaSurf: a surface-based deep learning approach for paratope-antigen interaction prediction.

ABSTRACT:

Motivation

Identifying antibody binding sites, is crucial for developing vaccines and therapeutic antibodies, processes that are time-consuming and costly. Accurate prediction of the paratope's binding site can speed up the development by improving our understanding of antibody-antigen interactions.

Results

We present ParaSurf, a deep learning model that significantly enhances paratope prediction by incorporating both surface geometric and non-geometric factors. Trained and tested on three prominent antibody-antigen benchmarks, ParaSurf achieves state-of-the-art results across nearly all metrics. Unlike models restricted to the variable region, ParaSurf demonstrates the ability to accurately predict binding scores across the entire Fab region of the antibody. Additionally, w

SUBMITTER: Papadopoulos AM 

PROVIDER: S-EPMC11855283 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature