In this tutorial we will get to know how to use CrypticScout one of the apps included in PlayMolecule, Acellera’s drug discovery platform.

CrypticScout is an application that leverages mixed-solvent Molecular Dynamics (MD) simulations to unravel protein binding sites, both pre-formed and hidden. These hidden cavities, known as “cryptic sites”, usually remain closed in apo crystal structures but their role in protein-protein interactions or in selective modulation of protein activity makes them very interesting in drug discovery.

Follow this tutorial to explore our app!