R. N. V. Krishna Deepak

A Molecular Dynamics Protocol for Rapid Prediction of EGFR Overactivation and Its Application to the Rare Mutations S768I, S768N, D761N

This paper develops a molecular dynamics protocol to predict EGFR mutation effects and applies it to three rare mutations, showing how they alter structural dynamics and activity.

Identification of FDA-approved drugs as novel allosteric inhibitors of human executioner caspases

This study identifies four FDA-approved drugs as novel non-peptide allosteric inhibitors of caspase-3/7 through virtual screening and experimental validation.