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. 2023 Feb 27;13(10):6699–6712. doi: 10.1039/d2ra08240c

Binding free energy of different antenna–core interfaces (kcal mol−1). ΔGvdW, the van der Waals interaction energy; ΔGnp, the non-polar solvation energy; ΔGelec, the electrostatic interaction energy; ΔGnonpolar, the contribution of hydrophobic interactions; ΔGpolar, the contribution of electrostatic interactions; ΔGbind, the binding free energy.

Interface ΔGvdW ΔGnp ΔGeleca ΔGnonpolarb ΔGpolarc ΔGbindd
S LHCII/core −103.5 ± 12.5 −11.4 ± 1.0 58.5 ± 2.5 −114.9 58.5 −56.4 ± 13.6
S CP26/core −46.5 ± 5.3 −6.2 ± 0.5 55.9 ± 3.0 −52.7 55.9 3.2 ± 6.4
S CP29/core −167.4 ± 8.5 −18.5 ± 0.7 69.8 ± 3.8 −185.9 69.8 −116.1 ± 9.8
a

Includes the electrostatic solvation energy, see methods.

b

Formula (6).

c

Formula (7).

d

Formula (5).