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Page 1
Calculated and experimental spin state of seleno cytochrome P450.
Jiang Y, Sivaramakrishnan S, Hayashi T, Cohen S, Moënne-Loccoz P, Shaik S, Ortiz de Montellano PR. Jiang Y, et al. Among authors: shaik s. Angew Chem Int Ed Engl. 2009;48(39):7193-5. doi: 10.1002/anie.200901485. Angew Chem Int Ed Engl. 2009. PMID: 19718734 Free PMC article. No abstract available.
Two-State Reactivity in the Rebound Step of Alkane Hydroxylation by Cytochrome P-450: Origins of Free Radicals with Finite Lifetimes This research was sponsored by the Israeli Science Foundation (ISF) and, in part, by the German Israeli Foundation (GIF), and the VW Stiftung. S.S. thanks the Humboldt Foundation for a Senior Research Award. F.O. thanks the EU for a Marie Curie Fellowship.
Harris N, Cohen S, Filatov M, Ogliaro F, Shaik S. Harris N, et al. Among authors: shaik s. Angew Chem Int Ed Engl. 2000 Jun 2;39(11):2003-2007. doi: 10.1002/1521-3773(20000602)39:11<2003::aid-anie2003>3.0.co;2-m. Angew Chem Int Ed Engl. 2000. PMID: 10941011 No abstract available.
The High-Valent Compound of Cytochrome P450: The Nature of the Fe-S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor This research was sponsored in part by the Israeli Science Foundation (ISF) and the Binational German-Israeli Foundation (GIF). F.O. thanks the EU for a Marie Curie Fellowship.
Ogliaro F, Cohen S, Filatov M, Harris N, Shaik S. Ogliaro F, et al. Among authors: shaik s. Angew Chem Int Ed Engl. 2001 Feb 16;40(4):647. Angew Chem Int Ed Engl. 2001. PMID: 11241591 No abstract available.
Radical clock substrates, their C-H hydroxylation mechanism by cytochrome P450, and other reactivity patterns: what does theory reveal about the clocks' behavior?
Kumar D, de Visser SP, Sharma PK, Cohen S, Shaik S. Kumar D, et al. Among authors: shaik s. J Am Chem Soc. 2004 Feb 18;126(6):1907-20. doi: 10.1021/ja039439s. J Am Chem Soc. 2004. PMID: 14871124
The theoretical study of these substrates reveals that the only low energy pathway for C-H hydroxylation is the two-state rebound mechanism described originally for methane hydroxylation (Ogliaro, F.; Harris, N.; Cohen, S.; Filatov, M.; de Visser, S. P.; Shaik …
The theoretical study of these substrates reveals that the only low energy pathway for C-H hydroxylation is the two-state rebound mechanism …
606 results