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. Author manuscript; available in PMC: 2013 Nov 22.
Published in final edited form as: J Phys Chem B. 2009 Feb 26;113(8):10.1021/jp807701h. doi: 10.1021/jp807701h

Figure 6.

Figure 6

The binding site of cytochrome p450 binding site. In A is an overview of the simulation system with the burried binding site. In B, the binding site is not visible with a space-filling representation. In C, the site with no camphor isoccupied by water, in D camphor is bound. See reference 78 for theoretical formulation and computational details.