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Article

Nickel superoxide dismutase reaction mechanism studied by hybrid density functional methods.

Journal of the American Chemical Society - 14 Jun 2006

Pelmenschikov Vladimir, Siegbahn Per E M

Abstract excerpt

The reaction mechanism for the disproportionation of the toxic superoxide radical to molecular oxygen and hydrogen peroxide by the nickel-dependent superoxide dismutase (NiSOD) has been studied using the B3LYP hybrid DFT method. Based on the recent X-ray structures of the enzyme in the resting oxidized Ni(III) and X-ray-reduced Ni(II) states, the model investigated includes the backbone spacer of six residues...

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PMID: 16756300
DOI: 10.1021/ja053665f

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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