TCB Publications - Abstract

Anton Arkhipov, Ying Yin, and Klaus Schulten. Four-scale description of membrane sculpting by BAR domains. Biophysical Journal, 95:2806-2821, 2008. (PMC: 2527247)

ARKH2008 BAR domains are proteins that sense and sculpt curved membranes in cells, furnishing a relatively well-studied example of mechanisms employed in cellular morphogenesis. We report a computational study of membrane bending by BAR domains at four levels of resolution, described by (i) all-atom molecular dynamics, (ii) residue-based coarse graining (resolving single amino acids and lipid molecules), (iii) shape-based coarse graining (resolving overall protein and membrane shapes), and (iv) a continuum elastic membrane model. Membrane sculpting performed by BAR domains collectively is observed in agreement with experiments. Different arrangements of BAR domains on the membrane surface are found to lead to distinct membrane curvatures and bending dynamics.

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