Md. Nazmul Hasan

Rigorous Absolute Binding Free Energy Calculations Elucidate Mutation–Driven Resistance Mechanisms of Non–Covalent Bruton’s Tyrosine Kinase (BTK) Inhibitors

Abstract Drug resistance driven by acquired mutations in Bruton’s tyrosine kinase (BTK) threatens the long–term clinical efficacy of non–covalent BTK inhibitors (NCIs). While clinically observed variants such as A428D, C481S, and the double mutant C481S/T474I display distinct res...