Molecular Dynamics Study of Dehydrated Lipopolysaccharide Membrane

Abstract

The outer membrane of bacteria is known to play an important role in the rapid response to desiccation, although the causes and the extent of these effects are still mostly unclear. For this reason, in this work we study the desiccation response of the Gram-negative lipopolysaccha-ride (LPS) bacterial outer membranes. By analyzing molecular dynamics simulations of LPS membranes of different composition during desiccation, we identified the formation of a rigid protective layer of polysaccharides that not only reduces the water evaporation but is also able to indirectly preserve several structural features and as such membrane functionality. Overall, we found that the presence of polysaccharide layer is critical in the conservation of a layer of water in proximity of the hydrophobic region as well as the structure of the lipids acyl chain structure.