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 …

A canonical view of the primary physiological function of myoglobin (Mb) is that it is an
oxygen (O2) storage protein supporting mitochondrial oxidative phosphorylation, especially …

Predicting function from sequence is an important goal in current biological research, and
although, broad functional assignment is possible when a protein is assigned to a family …

Human hemoglobin (Hb) is a benchmark protein of structural biology that shaped our view of
allosterism over 60 years ago, with the introduction of the MWC model based on Perutz …

Significance: Over the past 50 years, the mechanisms for O2 storage and transport have
been determined quantitatively on distance scales from millimeters to tenths of nanometers …

Nitrobindins (Nbs) represent an evolutionary conserved all-β-barrel heme-proteins
displaying a highly solvent-exposed heme-Fe (III) atom, coordinated by a proximal His …

In this work we review the application of classical and quantum-mechanical atomistic
computer simulation tools to the investigation of small ligand interaction with globins. In the …

Myoglobin (Mb) binds diatomic ligands, like O2, CO, and NO, in a cavity that is only
transiently accessible. Crystallography and molecular simulations show that the ligands can …

The Jarzynski equality is one of the most widely celebrated and scrutinized nonequilibrium
work theorems, relating free energy to the external work performed in nonequilibrium …

Hydrogen sulfide (H2S) was recently discovered as a gasotransmitter, capable of
coordinating to the heme iron of hemeproteins. H2S is unique for its ability to render varying …