Maria Lazou

This study evaluates AlphaFold3's ability to predict cryptic pockets and their ligand binding, showing it can generate accurate structural ensembles when provided with ligands.

The paper uses FTMap to analyze 50 antibody-antigen complexes, finding that paratopes are hot spot-rich and that Trp/Tyr residues drive hot spot formation.

This study evaluates AlphaFold protein models for ligand docking, showing they outperform unbound structures and match ligand-bound structures in fragment docking.

The paper identifies a druggable site on GRP78 at the SARS-CoV-2 interface and screens compounds to disrupt this interaction, potentially leading to new antiviral therapeutics.