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. Author manuscript; available in PMC: 2017 Oct 15.
Published in final edited form as: Bioorg Med Chem. 2016 Jul 21;24(20):4768–4778. doi: 10.1016/j.bmc.2016.07.039

Figure 3.

Figure 3

Snapshot of 15 bound to Y181C HIV-RT from an MC/FEP simulation. Some residues and all water molecules have been deleted for clarity. Carbon atoms of the inhibitor are in yellow.