Turner P. Brown

This study develops and validates coarse-grained models of mycobacterial outer membranes to investigate lipid organization and PDIM behavior under different lipid environments.

The paper uses molecular dynamics simulations to reveal the unique architecture of the mycobacterial outer membrane, showing fluid outer leaflets and ordered inner leaflets that contribute to bacterial resilience.

The paper identifies chemical features affecting mycomembrane permeation and antitubercular activity using a bioorthogonal assay and machine learning.