Heme-Ligand Dynamics

C-O axis on the porphyrin plane. The Fe atom is located at the center of the plot, with the x and y axes aligned with the Fe-Np bonds. 

An interesting property that can be extracted from the simulation is the allowed distortion of the Fe-C-O fragment. We quantified this distortion by using the tilt (S) and bend (0) angles, which have been often related to the protein discrimination 

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Time-Resolved Infrared Studies of Ligand Dynamics in Heme Proteins... 

Nienhaus, K., Nienhaus, G.U. Ligand dynamics in heme proteins observed by Fourier transform infrared-temperature derivative spectroscopy. Biochim. Biophys. Acta 1814, 1030-1041 (2011)... 

DA Case, M Karplus. Dynamics of ligand binding to heme proteins. 1 Mol Biol 132 343-368, 1979. 

As the picosecond dynamics of the CO and O2 ligand photodissociation in heme-complexes is a topic of current theoretical and experimental interest, certain other work having a bearing on the results in this report should be mentioned. The question of what... 

I am not familiar with the results you mentioned. Looking for the biochemical studies that have directly confirmed our observation of molecular tunneling in chemical reactions, one should mention the investigations of the dynamics of ligand rebinding to heme proteins performed by H. Frauenfelder, I. Gunsalus, and their colleagues at the University of Illinois (Urbana, 111.) [see, e.g., Biochemistry, 14, 5355 (1975) and Science, 192, 1002 (1976)]. 

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