Compds.

ΔG_vdw

ΔG_elec

ΔG_polar

ΔG_nonpolar

ΔG_binding

Maraviroc

−61.39

−11.42

48.38

−50.71

−75.14

1

−73.57

−33.19

73.60

−55.51

−88.67