Bacterial Lipids on the Move in Molecular Dynamics Simulations

In our research, we used molecular dynamics simulations that act as a computational microscope to visualize how membrane proteins perform their physiological functions and interact with surrounding lipids at the molecular level.

On the cover of the July 7 issue of Biophysical Journal, we show a snapshot from our simulations of bacterial lipids (pink, blue, and red) moving between the inner and outer membranes of a bacterial cell envelope via a protein called “TamB” (transparent purple). TamB is tethered to the outer membrane through its interaction with an outer membrane protein TamA (transparent orange).

The research described in this article reveals how TamB and related proteins may act as molecular bridges that shuttle lipids between the inner and outer membranes of bacterial cells. Because the outer membrane helps protect bacteria from antibiotics and other environmental threats, understanding how it is built and maintained may ultimately reveal new ways to weaken bacterial defenses.

 —Yiechang Lin and Ben Corry