Omar Lozano Ramos

A Medicinal Chemistry-Centered Evaluation of AlphaFold 3 and Boltz-2 Across Diverse Binding Modalities

AlphaFold 3 (AF3) and Boltz-2 are state-of-the-art AI-based tools for biomolecular structure prediction, but whether their predictions provide useful guidance for lead optimization, SAR interpretation, and virtual screening remains insufficiently characterized. We benchmarked their performance using newly determined so...