title: Membrane remodeling from N-BAR domain interactions: insights from multi-scale simulation.
abstract: 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 field-theoretic simulations to examine how the spontaneous curvature fields generated by N-BAR domains result in membrane remodeling. It is found that tubulation can be generated by anisotropic N-BAR spontaneous curvature fields, whereas vesiculation is only observed with isotropic N-BAR spontaneous curvature fields at high density. The results of the multi-scale simulations provide insight into recent experimental observations.
authors.affiliation: Center for Biophysical Modeling and Simulation, University of Utah, Salt Lake City, Utah, USA.
authors.forename: Gary S
authors.initials: GS
authors.lastname: Ayton
authors.forename: Philip D
authors.initials: PD
authors.lastname: Blood
authors.forename: Gregory A
authors.initials: GA
authors.lastname: Voth
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D008051:Lipid Bilayers / Q000737:chemistry*; D008081:Liposomes / Q000737:chemistry*; D008560:Membrane Fluidity; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D009419:Nerve Tissue Proteins / Q000737:chemistry* / Q000648:ultrastructure*; D011485:Protein Binding; D017434:Protein Structure, Tertiary
chemical_list: D008051:Lipid Bilayers; D008081:Liposomes; D009419:Nerve Tissue Proteins; C075637:amphiphysin