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MM/PBSA binding free energies (kJ/mol) for PHD finger/H3K4me0 complexes.

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posted on 2012-10-15, 02:32 authored by Dimitrios Spiliotopoulos, Andrea Spitaleri, Giovanna Musco
1<p>experimental binding free energy.</p>2<p>difference between AIRE-PHD1 and PHD finger complex experimental binding free energies.</p>3<p>computational binding free energies.</p>4<p>difference between the computational binding free energy of AIRE-PHD1/H3K4me0 and other PHD/H3K4me0 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 solvations 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>

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