Permeation of small molecules in phase separated lipid bilayer domains

Membranes of cells are constituted of lipid bilayers, which can phase separate into ordered domains called rafts. Recent atomic simulations have shown that ionic permeation is enhanced at the gel-liquid interface of rafts near the melting temperature. Herein, we revisit permeation of small molecules at raft interfaces using the coarse-grained MARTINI model. Namely, we study how the free energy of insertion changes with the small molecule, lipid composition and temperature.