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. 2016 Sep 7;21(9):1185. doi: 10.3390/molecules21091185

Figure 5.

Figure 5

Optimized geometries of the bonded structures of the inhibitor HA155 with serine (top) and threonine (bottom) at the B3LYP/6-31+G(d,p) level of theory, with their respective intramolecular HBs as dashed lines.