Molecular modeling of membrane curvature driven by epsin

A molecular description of membrane curvature induction by the ENTH domain of the protein epsin has the potential to shed light on clathrin mediated endocytosis and its effect on pathological cell signaling processes. To that end, we are performing coarse-grained and all-atom molecular dynamics simulations of membrane remodeling by epsin. Coarse-grained simulations are used to characterize the local stress distribution throughout the membrane, yielding a microscopic picture of the induced curvature field, the additive effects of multiple epsins, and the role of surface tension in mediating epsin-membrane interactions.