Redox reactions play important roles in almost all biological processes, including
photosynthesis and respiration, which are two essential energy processes that sustain all life …

Enzyme mimics or artificial enzymes are a class of catalysts that have been actively pursued
for decades and have heralded much interest as potentially viable alternatives to natural …

We present two new hybrid meta exchange-correlation functionals, called M06 and M06-2X.
The M06 functional is parametrized including both transition metals and nonmetals, whereas …

We present a new local density functional, called M06-L, for main-group and transition
element thermochemistry, thermochemical kinetics, and noncovalent interactions. The …

Metal cations are indispensable components of the cellular machinery and are involved in
numerous essential tasks ranging from nucleic acid and protein structure stabilization to …

We analysed the roles and distribution of metal ions in enzymatic catalysis using available
public databases and our new resource Metal-MACiE (http://www. ebi. ac. uk/thornton …

There have been significant advances in our understanding of mononuclear nonheme iron
oxygenases since our 1996 Chemical Reviews article, 1 promoted in large part by the many …

Copper is too redox active to exist in an unbound form in the cell without causing oxidative
damage: an upper limit of 10-18 M for the free concentration of Cu (II) in unstressed cells has …

Metalloproteins are proteins capable of binding one or more metal ions, which may be
required for their biological function, or for regulation of their activities or for structural …

Ribonucleotide reductases (RNRs) transform RNA building blocks to DNA building blocks
by catalyzing the substitution of the 2′ OH-group of a ribonucleotide with a hydrogen by a …