Nitric oxide (NO) is an important signaling molecule that is involved in a wide range of
physiological and pathological events in biology. Metal coordination chemistry, especially …

This review summarizes recent developments in the investigation of the electronic
structures, spectroscopic properties, and reactivities of ferrous and ferric heme-nitrosyls and …

Carbapenem-resistant Enterobacteriaceae threaten human health, since carbapenems are
last resort drugs for infections by such organisms. Metallo-β-lactamases (MβLs) are the main …

Soluble guanylate cyclase (sGC) is a mammalian nitric oxide (NO) sensor. When NO binds
to the sGC heme, its GTP cyclase activity markedly increases, thus generating cyclic GMP …

Enzymes turnover substrates into products with amazing efficiency and selectivity and as
such have great potential for use in biotechnology and pharmaceutical applications …

A detailed study of the influence of the surrounding protein on magnetic and optical spectra
of metalloproteins is presented using the quantum‐mechanical/molecular mechanical …

We present an investigation of the molecular basis of the modulation of oxygen affinity in
heme proteins using computer simulation. QM-MM calculations are applied to explore distal …

Indoleamine 2, 3-dioxygenase (IDO) and tryptophan dioxygenase (TDO) are two heme
proteins that catalyze the oxidation reaction of tryptophan (Trp) to N-formylkynurenine (NFK) …

Heme proteins are found in all living organisms and are capable of performing a wide
variety of tasks, requiring in many cases the binding of diatomic ligands, namely, O2, CO …

DFT calculations in our laboratory and elsewhere have elucidated fundamental aspects of
the structure and bonding of a variety of metalloporphyrin− diatomic complexes, including …