Haemoglobin (Hb) is widely known as the iron-containing protein in blood that is essential
for O 2 transport in mammals. Less widely recognised is that erythrocyte Hb belongs to a …

Molecular mechanics (force field) methods have become popular as an adjunct to traditional
methods for the examination of molecular structure. In this review, attention is focused on the …

2 1 Introduction the most salient points are just that a molecule can exist in a variety of states
depending on how its electrons are distributed among a set of molecular orbitals, and that …

We have used x-ray crystallography to determine the structures of sperm whale myoglobin
(Mb) in four different ligation states (unligated, ferric aquomet, oxygenated, and …

The crystal structures of myoglobin in the deoxy-and carbon monoxide–ligated states at a
resolution of 1.15 angstroms show that carbon monoxide binding at ambient temperatures …

The relative orientations of carbon monoxide (CO) bound to and photodissociated from
myoglobin in solution have been determined with time-resolved infrared polarization …

Most recent experiments have indicated that distal pocket polarity rather than steric
hindrance is the major factor governing the distribution of FeCO stretching frequencies (νC …

X-ray structures of carbonmonoxymyoglobin (MbCO) are available for different pH values.
We used conventional electrostatic continuum methods to calculate the titration behavior of …

Spectrally resolved infrared stimulated vibrational echo data were obtained for sperm whale
carbonmonoxymyoglobin (MbCO) at 300 K. The measured dephasing dynamics of the CO …

The interplay between FeC and CO bonding in carboxymyoglobin (MbCO) and the role of
potential hydrogen bonding between the CO moiety and the side chains of the surrounding …