Soldatova, A. V.; Spiro, T. G., Alternative modes of O2 activation in P450 and NOS enzymes are clarified by DFT modeling and resonance Raman spectroscopy. Journal of Inorganic Biochemistry 2020, 207, 111054. https://doi.org/10.1016/j.jinorgbio.2020.111054
Using Raman spectroscopy, and guided by DFT calculations, we have extensively explored the relationship between atomic and electronic structure in the complexes of heme proteins with the vital gaseous ligands CO, NO and O2.
Soldatova, A. V.; Spiro, T. G., Alternative modes of O2 activation in P450 and NOS enzymes are clarified by DFT modeling and resonance Raman spectroscopy. Journal of Inorganic Biochemistry 2020, 207, 111054. https://doi.org/10.1016/j.jinorgbio.2020.111054
Spiro, T. G.; Soldatova, A. V.; Balakrishnan, G. CO, NO and O2 as vibrational probes of heme protein interactions. Coordination Chemistry Reviews 2013, 257, 511–527. http://dx.doi.org/10.1016/j.ccr.2012.05.008