On the basis of its generally accessible I/II redox couple and bioavailability, copper plays a
wide variety of roles in nature that mostly involve electron transfer (ET), O 2 binding …

Laccases are part of the family of multicopper oxidases (MCOs), which couple the oxidation
of substrates to the four electron reduction of O 2 to H 2 O. MCOs contain a minimum of four …

Copper is an essential trace element in living systems, present in the parts per million
concentration range. It is a key cofactor in a diverse array of biological oxidation-reduction …

The field of bioinorganic chemistry is at a propitious stage of development. Ever more
complex metallobiomolecules are isolated and purified, physical methodologies and …

Cu X-ray absorption edge features of 19 Cu (I) and 40 Cu (II) model complexes have been
systematically studied and correlated with oxidation state and geometry. Studies of Cu (I) …

This review provides a detailed account of density functional theory (DFT) and its application
to the calculation of molecular properties of inorganic compounds. After introducing some …

Approximately one-half of all known protein crystal structures in the protein data bank (PDB)
contain metal ion cofactors, which play vital roles in charge neutralization, structure, and …

Spectroscopy has played a major role in developing our understanding of activesites in
copper proteins. Often these sites exhibit spectral features which are unique compared to …

The development, characterization, and technological exploitation of new materials,
particularly as components in 'smart'systems, are key challenges for chemistry and physics …

The applications of multiscale quantum–classical (QM–MM) approaches have shown an
extraordinary expansion and diversification in the last couple of decades. A great proportion …