Abstract

A novel method is presented for the calculation of adhesion energies of lipid bilayers on solid surfaces from molecular dynamics simulation. We illustrate the method with a fully atomistic model comprising a gold surface and an adsorbed lipid bilayer. We use our technique to scale the lipid-surface interactions to reproduce the experimental value for adsorption of DMPC bilayers on gold surfaces. Finally we estimate the entropic contribution to the free energy change on adsorption of the bilayer.

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