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. Author manuscript; available in PMC: 2012 May 18.
Published in final edited form as: J Am Chem Soc. 2011 Apr 22;133(19):7416–7427. doi: 10.1021/ja111657j

Figure 3.

Figure 3

Plots of the key internuclear distances versus simulation time for (a) SRt and (b) SRc binding with CYP2A6. D1 refers to the distance between the trans-5′-hydrogen and the oxygen of Cpd I, D2 refers to the distance between the cis-5′-hydrogen and the oxygen of Cpd I.