Table 2.

MM–PBSA interaction free energies between β₂AR and G_s (in kcal/mol) along with their SEM computed using block averages, enthalpic (ΔH) and entropic (−TΔS) components (based on the last 2 μs of Anton trajectories)

System	Time	ΔH	−TΔS	ΔG ± SEM
β2AR–Gs – run1	3.0–5.0 μs	−145.4	105.1	−40.3 ± 8.2
β2AR–Gs – run2	3.0–5.0 μs	−111.8	82.9	−28.9 ± 8.6
β2AR–Gs – run3	5.5–7.5 μs	−154.6	105.4	−49.2 ± 17.2
β2AR–Gs – run4	3.0–5.0 μs	−109.6	83.6	−26.0 ± 4.9