Title | Membrane Remodeling from N-BAR Domain Interactions: Insights from Multi-Scale Simulation |
Publication Type | Journal Article |
Year of Publication | 2007 |
Authors | Ayton, GS, Blood, PD, Voth, GA |
Journal | Biophys J |
Volume | 92 |
Pagination | 3595-602 |
Keywords | Binding Sites Computer Simulation Lipid Bilayers/*chemistry Liposomes/*chemistry *Membrane Fluidity *Models, Chemical *Models, Molecular Molecular Conformation Nerve Tissue Proteins/*chemistry/*ultrastructure Protein Binding Protein Structure, Tertiary |
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. |
DOI | 10.1529/biophysj.106.101709 |