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. Author manuscript; available in PMC: 2016 Apr 1.
Published in final edited form as: Annu Rev Phys Chem. 2015 Jan 12;66:357–377. doi: 10.1146/annurev-physchem-040214-121802

Figure 5.

Figure 5

Cartoon representation of the rilpivirine-RT complex, showing the interaction between water (red) and a site-specific nitrile probe (blue) on the drug, determined from MD simulation (left) and X-ray crystallography (right). Figure adapted with permission from Kuroda et al. (90).