Membrane remodeling from N-BAR domain interactions: Insights from multi-scale simulation

Liposome remodeling processes ( e. g., vesiculation and tubulation) due to N- BAR domain interactions with the lipid bilayer are explored with a multi- scale simulation approach. Results from atomistic- level molecular dynamics simulations of membrane binding to the concave face of N- BAR domains are used along with discretized mesoscopic. eld- theoretic simulations to examine how the spontaneous curvature. elds generated by N- BAR domains result in membrane remodeling. It is found that tubulation can be generated by anisotropic N- BAR spontaneous curvature. elds, whereas vesiculation is only observed with isotropic N- BAR spontaneous curvature. elds at high density. The results of the multi- scale simulations provide insight into recent experimental observations.