A. K. Vasan

Investigation of gating in outer membrane porins provides new perspectives on antibiotic resistance mechanisms

This study uses molecular dynamics simulations and experiments to show that dynamic gating of E. coli outer membrane porin OmpF, mediated by conserved acidic residues, regulates antibiotic permeability and contributes to antibiotic resistance.

Rationalizing generation of broad spectrum antibiotics with the addition of a primary amine

This study uses molecular dynamics simulations and experimental validation to show that adding a primary amine to antibiotics enhances their permeation through the outer membrane of Gram-negative bacteria by aligning dipole moments and forming electrostatic interactions.