Cohen S - Search Results

1

P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations.

Shaik S, Cohen S, Wang Y, Chen H, Kumar D, Thiel W. Shaik S, et al. Among authors: cohen s. Chem Rev. 2010 Feb 10;110(2):949-1017. doi: 10.1021/cr900121s. Chem Rev. 2010. PMID: 19813749 Review. No abstract available.

2

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: cohen 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.; Shai …

The theoretical study of these substrates reveals that the only low energy pathway for C-H hydroxylation is the two-state rebound mechanism …

3

Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study.

Derat E, Cohen S, Shaik S, Altun A, Thiel W. Derat E, et al. Among authors: cohen s. J Am Chem Soc. 2005 Oct 5;127(39):13611-21. doi: 10.1021/ja0534046. J Am Chem Soc. 2005. PMID: 16190726

4

In silico design of a mutant of cytochrome P450 containing selenocysteine.

Cohen S, Kumar D, Shaik S. Cohen S, et al. J Am Chem Soc. 2006 Mar 1;128(8):2649-53. doi: 10.1021/ja056586c. J Am Chem Soc. 2006. PMID: 16492051

5

Does substrate oxidation determine the regioselectivity of cyclohexene and propene oxidation by cytochrome p450?

Cohen S, Kozuch S, Hazan C, Shaik S. Cohen S, et al. J Am Chem Soc. 2006 Aug 30;128(34):11028-9. doi: 10.1021/ja063269c. J Am Chem Soc. 2006. PMID: 16925412

6

Compound I in heme thiolate enzymes: a comparative QM/MM study.

Cho KB, Hirao H, Chen H, Carvajal MA, Cohen S, Derat E, Thiel W, Shaik S. Cho KB, et al. Among authors: cohen s. J Phys Chem A. 2008 Dec 18;112(50):13128-38. doi: 10.1021/jp806770y. J Phys Chem A. 2008. PMID: 18850694

7

Searching for the second oxidant in the catalytic cycle of cytochrome P450: a theoretical investigation of the iron(III)-hydroperoxo species and its epoxidation pathways.

Ogliaro F, de Visser SP, Cohen S, Sharma PK, Shaik S. Ogliaro F, et al. Among authors: cohen s. J Am Chem Soc. 2002 Mar 20;124(11):2806-17. doi: 10.1021/ja0171963. J Am Chem Soc. 2002. PMID: 11890833

8

The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations.

Schöneboom JC, Lin H, Reuter N, Thiel W, Cohen S, Ogliaro F, Shaik S. Schöneboom JC, et al. Among authors: cohen s. J Am Chem Soc. 2002 Jul 10;124(27):8142-51. doi: 10.1021/ja026279w. J Am Chem Soc. 2002. PMID: 12095360

9

A predictive pattern of computed barriers for C-h hydroxylation by compound I of cytochrome p450.

de Visser SP, Kumar D, Cohen S, Shacham R, Shaik S. de Visser SP, et al. Among authors: cohen s. J Am Chem Soc. 2004 Jul 14;126(27):8362-3. doi: 10.1021/ja048528h. J Am Chem Soc. 2004. PMID: 15237977

10

The experimentally elusive oxidant of cytochrome P450: a theoretical "trapping" defining more closely the "real" species.

Ogliaro F, de Visser SP, Cohen S, Kaneti J, Shaik S. Ogliaro F, et al. Among authors: cohen s. Chembiochem. 2001 Nov 5;2(11):848-51. doi: 10.1002/1439-7633(20011105)2:11<848::AID-CBIC848>3.0.CO;2-0. Chembiochem. 2001. PMID: 11948872 No abstract available.

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