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. Author manuscript; available in PMC: 2011 May 1.
Published in final edited form as: J Inorg Biochem. 2010 Jan 7;104(5):512–522. doi: 10.1016/j.jinorgbio.2009.12.022

Figure 8.

Figure 8

The geometries of the active site of CDA at the end of the refinement runs by QM/MM and MM, together with the electron density maps, Fo − Fc difference electron density maps, contoured at 3σ (blue mesh), and −3σ (red mesh), are shown.