Theoretical Studies of Nickel-Dependent Enzymes
Keyword(s):
The advancements of quantum chemical methods and computer power allow detailed mechanistic investigations of metalloenzymes. In particular, both quantum chemical cluster and combined QM/MM approaches have been used, which have been proven to successfully complement experimental studies. This review starts with a brief introduction of nickel-dependent enzymes and then summarizes theoretical studies on the reaction mechanisms of these enzymes, including NiFe hydrogenase, methyl-coenzyme M reductase, nickel CO dehydrogenase, acetyl CoA synthase, acireductone dioxygenase, quercetin 2,4-dioxygenase, urease, lactate racemase, and superoxide dismutase.
2018 ◽
The impact of quantum chemical methods on the interpretation of molecular spectra of carbon clusters
1993 ◽
Vol 294
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pp. 21-24
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Keyword(s):
2012 ◽
Vol 18
(11)
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pp. 4909-4915
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2017 ◽
Vol 19
(34)
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pp. 23176-23186
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Keyword(s):