. Author manuscript; available in PMC: 2013 Nov 22.

Published in final edited form as: J Phys Chem B. 2009 Feb 26;113(8):10.1021/jp807701h. doi: 10.1021/jp807701h

Table II.

Binding Free Energy for ligand 8 of FKBP12

Δ Δ G _rep	Δ Δ G _dis	Δ Δ G _elec	$Δ Δ G_{c}^{\circ}$	Δ Δ G _t	Δ Δ G _r	$Δ G_{bind}^{\circ}$	Exp
−1.1	−21.1	−3.7	6.9	3.4	5.4	−10.2	−10.9
−25.9			15.7