. 2022 Jul 25;62(15):3664–3675. doi: 10.1021/acs.jcim.2c00417

Table 2. Binding Free Energy Components of the Two Agonists (kcal mol^–1).

ligand	–ΔG_elec + vdw^int_complex	ΔG_elec + vdw^int_water	ΔG_{restr_on}	ΔG_bind
(R)-AM-8596	–121.602 ± 0.524	103.941 ± 0.254	6.559	–11.102 ± 0.582
(S)-AM-8596	–123.153 ± 0.310	103.996 ± 0.213	6.7	–12.457 ± 0.376

Table 2. Binding Free Energy Components of the Two Agonists (kcal mol–1).