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

1<p>experimental binding free energy as measured in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0046902#pone.0046902-Chignola1" target="_blank">[15]</a>, <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0046902#pone.0046902-Org1" target="_blank">[20]</a>.</p>2<p>difference between wild-type and mutant experimental binding free energies.</p>3<p>computational binding free energies.</p>4<p>difference between computational binding free energies of wild-type and mutant complex.</p>5<p>coulombic term.</p>6<p>polar solvation term.</p>7<p>polar term (sum of coulombic and polar solvation terms).</p>8<p>van der Waals term.</p>9<p>non-polar solvation term.</p>10<p>non-polar term (sum of van der Waals and non polar solvation terms).</p><p>Standard errors are given in parentheses.</p>