期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 111, 期 43, 页码 12543-12550出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp070578w
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The catalytic cycle of cytochrome c oxidase has been simulated by means of quantum mechanical calculations. The experimental energetics of the catalytic cycle is nearly reproduced. The atomic structures of the intermediates are suggested. In particular, the structures of nonactive resting intermediates are proposed.
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