Multiscale Molecular Simulations to Probe Lipid Bilayer Modifications Causing Antimicrobial Resistance

The focus of my work has been using Molecular Dynamics Simulations to study the interaction between bacterial membranes and antimicrobial peptides (AMPs, short sequence peptides that break down membranes). In particular I have been focusing on membranes which have undergone modification by the multiple peptide resistance factor protein (MprF). The MprF protein changes the lipid environment of bacterial membranes and makes them less susceptible to damage from AMPs. The goal of my research has been to understand how the activity of MprF changes properties of the bacterial membrane and reduces the damaging activity of AMPs.