Table 2.

Per-residue free energy for hMOR–ligand interaction complexes (values in kcal/mol).

Residue	hMOR–Naltrexone	hMOR–NTXOL	hMOR–HMNTXOL
A115		−1.173
A119		−1.128
M153	−1.780	−1.551	−3.050
I157		−1.016
W295	−1.572	−1.176
I298	−1.184		−1.725
I324	−1.216		−1.382
G327	−1.547
Y328	−2.774		−1.522
N330		−1.566
N334		−1.942