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. Author manuscript; available in PMC: 2014 Feb 19.
Published in final edited form as: Acc Chem Res. 2012 Oct 2;46(2):10.1021/ar300175n. doi: 10.1021/ar300175n

Figure 6.

Figure 6

A total of 7 crystal structures of the 5 different aminopyridine inhibitors bound to either nNOS or eNOS were used for the free energy calculations. The correlation between the relative ΔGcalc and experimental ΔGexp (extracted from measured Ki values) is excellent.