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. Author manuscript; available in PMC: 2017 Sep 14.
Published in final edited form as: J Am Chem Soc. 2016 Sep 2;138(36):11850–11859. doi: 10.1021/jacs.6b06454

Figure 5.

Figure 5

Flexibility of inhibitor moieties when bound to HCV NS3/4A protease. Root mean square fluctuations (RMSF values) of inhibitor atoms were calculated over MD simulations when bound to GT-1 or chimeric 1a3a protease.