Micelle Membrane Interactions Investigated with Coarse-Grained Molecular Dynamics

Interactions of spherical micelles with lipid membranes are of fundamental interest for applications of delivery.  Here, we address the interactions of a PEO-PCL spherical micelle with a dimyristoylphosphatidylcholine (DMPC) lipid membrane.  We utilize a model for poly(ethylene oxide) -poly(caprolactone) (PEO-PCL) that is consistent with the experimentally found phase behavior, and a model for DMPC that has been well parameterized by the Klein group.  In order to parameterize the cross interactions we examine mixtures of PEG-lipid and DMPC lipid in the monolayer to ensure the correct mixing and surface tension, in agreement with known experimental measurements.  We next examine the potential of mean force between the micelle and membrane.