title: Electroporation of the E. coli and S. Aureus membranes: molecular dynamics simulations of complex bacterial membranes.
abstract: Bacterial membranes are complex organelles composed of a variety of lipid types. The differences in their composition are a key factor in determining their relative permeabilities. The success of antibacterial agents depends upon their interaction with bacterial membranes, yet little is known about the molecular-level interactions within membranes of different bacterial species. To address this, we have performed molecular dynamics simulations of two bacterial membranes: the outer membrane of  E. coli  and the cell membrane of  S. aureus . We have retained the chemical complexity of the membranes by considering the details of their lipidic components. We identify the extended network of lipid-lipid interactions that stabilize the membranes. Our simulations of electroporation show that the  S. aureus  cell membrane is less resistant to poration than the  E. coli  outer membrane. The mechanisms of poration for the two membranes have subtle differences; for the  E. coli  outer membrane, relative differences in mobilities of the lipids of both leaflets are key in the process of poration.
authors.affiliation: School of Chemistry, University of Southampton, Highfield, Southampton, United Kingdom.
authors.forename: Thomas J
authors.initials: TJ
authors.lastname: Piggot
authors.forename: Daniel A
authors.initials: DA
authors.lastname: Holdbrook
authors.forename: Syma
authors.initials: S
authors.lastname: Khalid
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry; D002462:Cell Membrane / Q000737:chemistry*; D018274:Electroporation; D004926:Escherichia coli / Q000378:metabolism*; D056004:Molecular Dynamics Simulation; D013211:Staphylococcus aureus / Q000378:metabolism*
chemical_list: D000900:Anti-Bacterial Agents