MM/PBSA binding free energies (kJ/mol) of wild-type and mutant AIRE-PHD1/H3K4me0 complexes.

1experimental binding free energy as measured in [15], [20].2difference between wild-type and mutant experimental binding free energies.3computational binding free energies.4difference between computational binding free energies of wild-type and mutant complex.5coulombic term.6polar solvation term.7polar term (sum of coulombic and polar solvation terms).8van der Waals term.9non-polar solvation term.10non-polar term (sum of van der Waals and non polar solvation terms).Standard errors are given in parentheses.