Louis G. Smith

This study identifies that SGLT2 inhibitors activate pantothenate kinase 1 (PANK1) in the human heart, enhancing coenzyme-A synthesis and fuel use, which may explain their clinical benefits in heart failure.

This paper improves RNA force field parameters by fitting them to quantum mechanics data, enhancing stability of native structures and conformational preferences.

This study uses molecular dynamics simulations to investigate how vitrification affects the conformational ensemble of Trp-cage miniprotein and develops a thermodynamic inference framework to recover equilibrium populations from vitrified samples.