Figure 5.

The final structures of the ceramide system with an original hydration of ∼14.5 waters per lipid, at a water content (compared to the original system) of 100, 70, 40, 20, and 0% (a–f). As water is removed from the system, a transition into a fully lamellar structure is observed. Some areas with disordered ceramides can be seen as holes in the headgroup structure, but the majority of these areas eventually relax into the same bilayer conformation as the surrounding ceramides. The full representation of the 0% water system (f) clearly demonstrates the final lamellar structure. The simulation box is outlined in blue (cf. Movie S4). To see this figure in color, go online.