Fig. 7

Potential energy surfaces for Fe-N-O bending. The surfaces of the QM/MM, reduced QM/MM, and isolated heme QM models are shown by blue circles, magenta squares, and cyan triangles, respectively
Potential energy surfaces for Fe-N-O bending. The surfaces of the QM/MM, reduced QM/MM, and isolated heme QM models are shown by blue circles, magenta squares, and cyan triangles, respectively