“…Imidazoliumbased ionic surfactants such as 1-ethyl-3-methylimidazolium (C 2 MIM), 1-butyl-3-methylimidazolium (C 4 MIM), and 1-hexyl-3-methylimidazolium (C 6 MIM) were modeled using the OPLS ionic-liquid FF developed by Sambasivarao and Acevedo [37] ( Fig. 1), which has accurately predicted the experimentally observed or theoretically derived structural and thermodynamic properties of ionic surfactants and their solvent effects on the polymer conformation [38], and thus has been widely used for many previous simulations [39][40][41][42]. For lipids, potential parameters for dimyristoylglycerophosphocholine (DMPC), palmitoyloleoylglycerophosphocholine (POPC), and dioleoylglycerophosphocholine (DOPC) were taken directly from the Berger lipid FF modified by Tieleman et al [43,44] We equilibrated pure bilayers without ionic surfactants, showing the area per lipid of 62.3 ± 1.5, 64.6 ± 0.2, and 67.7 ± 0.2 Å 2 , respectively, for DMPC, POPC, and DOPC bilayers.…”