Lebrero MC - Search Results

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Molecular basis of the mechanism of thiol oxidation by hydrogen peroxide in aqueous solution: challenging the SN2 paradigm.

Zeida A, Babbush R, Lebrero MC, Trujillo M, Radi R, Estrin DA. Zeida A, et al. Among authors: lebrero mc. Chem Res Toxicol. 2012 Mar 19;25(3):741-6. doi: 10.1021/tx200540z. Epub 2012 Feb 16. Chem Res Toxicol. 2012. PMID: 22303921 Free PMC article.

Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework.

Morzan UN, Ramírez FF, Oviedo MB, Sánchez CG, Scherlis DA, Lebrero MC. Morzan UN, et al. Among authors: lebrero mc. J Chem Phys. 2014 Apr 28;140(16):164105. doi: 10.1063/1.4871688. J Chem Phys. 2014. PMID: 24784251

The extraordinary catalytic ability of peroxiredoxins: a combined experimental and QM/MM study on the fast thiol oxidation step.

Zeida A, Reyes AM, Lebrero MC, Radi R, Trujillo M, Estrin DA. Zeida A, et al. Among authors: lebrero mc. Chem Commun (Camb). 2014 Sep 11;50(70):10070-3. doi: 10.1039/c4cc02899f. Chem Commun (Camb). 2014. PMID: 25045760 Free PMC article.

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