. 2017 Dec 6;9(3):409–436. doi: 10.1039/c7md00526a

Table 7. Protein EGFR docking results for complexes 2.77 and 2.83 (kcal mol^–1).

Complexes	vdW + H bond + desolv energy (ΔG_{vdW+hb+desolv})	Electrostatic energy (ΔG_elec)	Total internal energy (ΔG_total)	Torsional free energy (ΔG_tor)	Unbound system's energy (ΔG_unb)	Binding free energy (ΔG_binding) ^a
2.77	–7.86	–0.18	–0.82	–1.34	–0.42	–7.10
2.83	–9.02	–0.20	–0.83	–1.65	–0.55	–7.86

^aΔG_binding = ΔG_{vdW+hb+desolv} + ΔG_elec + ΔG_total + ΔG_tor + ΔG_unb.

Table 7. Protein EGFR docking results for complexes 2.77 and 2.83 (kcal mol–1).