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The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
Alfonso-Prieto M, Borovik A, Carpena X, Murshudov G, Melik-Adamyan W, Fita I, Rovira C, Loewen PC. Alfonso-Prieto M, et al. Among authors: carpena x. J Am Chem Soc. 2007 Apr 11;129(14):4193-205. doi: 10.1021/ja063660y. Epub 2007 Mar 15. J Am Chem Soc. 2007. PMID: 17358056
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