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. 2022 Mar 4;12(12):7318–7327. doi: 10.1039/d2ra00277a

MM/GBSA results for all the complexes including vdW, electrostatic and the total binding energy. All the energies are given in kcal mol−1.

Complexes names vdW Electrostatic SA GB Total
C1-RBD −51.25 −28.14 −16.32 35.33 −60.38
C2-RBD −36.72 −20.51 −6.55 22.34 −41.44
C3-RBD −31.85 −17.48 −13.52 26.63 −36.22
C4-RBD −45.77 −23.75 −11.36 36.58 −44.30