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. 2016 Jan 6;6:18987. doi: 10.1038/srep18987

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(a), 17 (c) and 40 (e), and two-dimensional ligand-residue interaction maps of 13 (b), 17 (d) and 40 (f). Delta G_subtotal represents total estimated binding free energy for each residue. Delta G_ele represents non-bonded electrostatics interactions. Delta G_vdw represents non-bonded van der Waals interactions.