Felix Tuchscherer

The influence of ligands on AlphaFold3 prediction of cryptic pockets

Cryptic pockets—binding sites that are formed or exposed upon a conformational change—represent an important class of potentially druggable binding sites. Reliably predicting cryptic pockets capable of binding ligands, however, remains a challenge. Herein we examine the use of AlphaFold 3 (AF3) for generating realistic...