Table 7.

Binding enthalpy for the peptide/membrane simulations decomposed into its component terms.

Energy termsa	Systemb		Difference ΔΔ (kcal/mol)
	TH-(1–43)/POPS	THp-(1–43)/POPS
ΔEvdW	−26.1 ± 5.5	−21.8 ± 7.4	−4.3
ΔEelec + ΔGPB	−21.8 ± 11.7	12.6 ± 13.8	−34.4
ΔGnon-polar	−5.2 ± 0.6	−4.3 ± 0.9	−0.9
ΔG’	−53.1 ± 10.8	−13.5 ± 9.8	−39.6

^aΔG’ refers to the change in total enthalpy as given in Equation 4

^bThe peptide-interacting leaflet of the POPS bilayer constituted the receptor in these calculations