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How do azoles inhibit cytochrome P450 enzymes? A density functional study.
J Phys Chem A. 2008 Dec 18;112(50):12911-8. doi: 10.1021/jp802087w.
J Phys Chem A. 2008.
PMID: 18563875
Comparative quantum mechanics/molecular mechanics (QM/MM) and density functional theory calculations on the oxo-iron species of taurine/alpha-ketoglutarate dioxygenase.
Godfrey E, Porro CS, de Visser SP.
Godfrey E, et al. Among authors: porro cs.
J Phys Chem A. 2008 Mar 20;112(11):2464-8. doi: 10.1021/jp710999v. Epub 2008 Feb 1.
J Phys Chem A. 2008.
PMID: 18237159
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Quantum mechanics/molecular mechanics studies on the sulfoxidation of dimethyl sulfide by compound I and compound 0 of cytochrome P450: which is the better oxidant?
Porro CS, Sutcliffe MJ, de Visser SP.
Porro CS, et al.
J Phys Chem A. 2009 Oct 29;113(43):11635-42. doi: 10.1021/jp9023926.
J Phys Chem A. 2009.
PMID: 19534515
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Electronic properties of pentacoordinated heme complexes in cytochrome P450 enzymes: search for an Fe(I) oxidation state.
Porro CS, Kumar D, de Visser SP.
Porro CS, et al.
Phys Chem Chem Phys. 2009 Nov 21;11(43):10219-26. doi: 10.1039/b911966c. Epub 2009 Sep 22.
Phys Chem Chem Phys. 2009.
PMID: 19865780
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Overview on theoretical studies discriminating the two-oxidant versus two-state-reactivity models for substrate monoxygenation by cytochrome P450 enzymes.
de Visser SP, Porro CS, Quesne MG, Sainna MA, Munro AW.
de Visser SP, et al. Among authors: porro cs.
Curr Top Med Chem. 2013;13(18):2218-32. doi: 10.2174/15680266113136660155.
Curr Top Med Chem. 2013.
PMID: 24047138
Review.
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