Shray Vats

REVEAL captures RNA excited states using AI-guided simulations, showing it can identify dominant conformations better than traditional methods.

CryoPhold integrates AlphaFold, cryo-EM, and molecular simulations to predict protein dynamics and structural hotspots in human proteins like GlyT1 and BRAF mutants.

This paper introduces a computational framework to study kinase conformational dynamics by integrating AlphaFold, machine learning, and physics-based simulations to explore metastable states beyond traditional binary classifications.

This paper introduces AlphaFold-SFA, a method combining AlphaFold, slow feature analysis, and metadynamics to accelerate sampling of rare protein events like cryptic pocket opening and allosteric communication.