Mithun Radhakrishna

Mutation-Guided Recovery of Ligand-Compatible Holo-Like Conformations in Proteins with Cryptic Pockets.

A computational framework in which residues with high cryptic-pocket propensity are used as mutation handles to perturb the free-energy landscape and expose ligand-compatible open states even in the absence of ligand binding is presented, providing a practical framework for studying and targeting cryptic pockets.