We develope molecular models for bacterial cell envelope at atomistic and coarse-grained resolutions. We also study interactions of small molecules with the complex membranes of phosholipids and lipopolysaccharides to understand a molecular mechanism of membrane disruption by the antimicrobial molecules. Our recent studies on action of Melittin peptides on bacteria cell wall compare and contrast the cell wall penetrating properties of Gram-negative strains and assess for the first time binding and translocation of antimicrobial molecules for Gram-positive cell walls.
