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. Author manuscript; available in PMC: 2017 May 18.
Published in final edited form as: J Med Chem. 2015 Jul 10;58(20):7913–7927. doi: 10.1021/acs.jmedchem.5b00527

Figure 7.

Figure 7

Five rmsd-average-linkage clusters of backbone conformations of 23 sampled from a 100 ns 300 K aqueous (TIP3P water) simulation (the percentage of each cluster of the total sample is indicated).