One small step toward all-atom modeling and simulation of the mycobacteria cell envelope

Abstract

Mycobacteria are generally non-motile bacteria covered by an protective envelope consisting of a mycobacterial outer membrane (MOM), a peptidoglycan (PG) layer and a mycobacterial inner membrane (MIM). This cell envelope provides the bacterial cell with structural integrity and protects the cell from hostile environments while allowing the transport of solutes and proteins. Despite its importance, our understanding on this cell envelope is rudimentary at best. Because of technical difficulties in deciphering these complex cell envelopes by experiments, all-atom modeling and simulation should be able to provide an unprecedented understanding of the structure and dynamics of the mycobacterial cell envelope.