Quantum Chemical Studies of Transition Metal Catalyzed Enzyme Reactions
作者： Per E. M. Siegbahn
DOI: 10.1007/978-94-011-5171-9_11
关键词: Catalysis 、 Quantum chemistry 、 Methane monooxygenase 、 Quantum chemical 、 Ribonucleotide reductase 、 Chemistry 、 Computational chemistry 、 Transition metal 、 Enzyme catalysis 、 Hydrogen atom abstraction
摘要: The treatment of an enzymatic reaction containing transition metals by high accuracy quantum chemical methods was until very recently considered almost impossible task. Therefore, the appearance such calculations last year [1,2] quite unexpected and can be regarded as a major breakthrough in area chemistry. New important areas for applications have suddenly been opened it expected that large number biochemical on metal catalyzed reactions will appear coming years. These not only change applied chemistry but are also likely to impact biochemistry, leading new understanding many reactions. In this presentation overview recent work done Stockholm made, with examples mainly taken from Methane Monooxygenase (MMO), Photosystem II (PSII) Ribonucleotide Reductase (RNR).
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