Correction Schemes for Absolute Binding Free Energies Involving Lipid Bilayers.

Note that for the ion in the lipid–water system, where the 2D plane (i.e., xy ) self-interaction is through the continuum medium of water (ε water ), the ΔΔ G coul lipid-water ( L ) is very small (<0.1 kcal/mol) but can be quite significant (∼4 kcal/mol) when the net charge is in the hydrophobic core of the lipid bilayer (e.g., a charged ligand in the membrane).

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