Fig 1. Methodology of membrane self-assembly.

(A) The self-assembly of evenly mixed lipids result in a membrane with symmetric leaflet. (B) two stacked boxes filled with different lipids for each intravesicular (IV) and cytoplasmic (CP) leaflet self-assembles in an asymmetric membrane. (C) The same method can be used in simulations of membrane-protein insertion by including the membrane protein in the initial set-up the self-assembly. The transmembrane domain (in purple) of the protein aligns itself with the hydrophobic core of the membrane.