AI-augmented physics-based docking for antibody-antigen complex prediction.
Journal:
Bioinformatics (Oxford, England)
PMID:
40135432
Abstract
MOTIVATION: Predicting the structure of antibody-antigen complexes is a challenging task with significant implications for the design of better antibody therapeutics. However, the levels of success have remained dauntingly low, particularly when high standards for model quality are required, a necessity for efficient antibody design. Artificial intelligence (AI) has significantly impacted the landscape of structure prediction for antibodies, both alone and in complex with their antigens.