Diffusion, Aggregation and Penetration: Modelling the Complex Cell Envelope of E.coli
E.coli is a simple organism with a complex, dual-membrane cell envelope. Moreover the two membranes differ in their compositions and thus also their permeabilities. Both membranes contain multiple proteins that perform a variety of functions. While it is clear that the membrane is not simply and inert environment that simply serves to contain the proteins, the precise details of its role and the complex interplay between membrane and proteins are far from understood. Here we employ atomistic and coarse-grain simulations to focus on the interaction of melittin with model inner and outer membranes and aggregation and diffusion of proteins in the outer membrane. The complexity of the membrane composition in terms of lipids and proteins is addressed.
Keywordsbacteria membrane protein molecular dynamics complexity lipid
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