Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods

Article Abstract:

A review of research in the field of accurate quantum chemical treatments of systems containing transition metals is presented. It was found that there are at least two clear differences in the applications on biochemical systems in comparison with other transition-metal complexes. The overall chemistry in which the biochemical complexes are involved is a lot more complicated than in a conventional catalytical cycle of a laboratory procedure.

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Theoretical studies of some transition-metal-mediated reactions of industrial and synthetic importance

Article Abstract:

Examples are used to indicate how quantum chemistry has been applied to address real problems found in coordination chemistry for which experimental chemistry alone could not produce an answer. It is suggested that theoretical studies have greatly improved understanding of a wide range of transition-metal-mediated reactions.

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Density functional theory of biologically relevant metal centers

Article Abstract:

This article applies density functional theory to biologically important large metal enzyme complexes in the elucidation of mechanism, structure, and modeling. Metalloenzymes comprising methane monooxygenase, photosystem II complex, nitrogenase, the copper dimer active site in tyrosinase, and hemocyanin are described.

Sweden, Models, Enzymes, Metalloenzymes, Nitrogenase, Enzyme structure-activity relationships, Photosynthesis

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