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Prediction of an avid interaction between 14-3-3G and hexokinase. (a) Binding free energies of 14-3-3G with the principal interacting proteins. Note that hexokinase (HXK) is predicted to have the lowest free energy of binding. (b) RMSD plot of 14-3-3G bound to hexokinase over a 200-ns MD simulation; (c) 14-3-3 G::hexokinase complex showing binding pocket (green) at 70 ns. (d) The volume of the hexokinase binding pocket for 14-3-3G increases between 0 and 100 ns.
