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Shimirit Cohen, Ph. D - Publications

Affiliations: 
 Chemistry Hebrew University, Jerusalem, Jerusalem, Israel 
Area:
Cytochrome P450s, Mass Spectrometry,
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20 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Lai W, Chen H, Cohen S, Shaik S. Will P450 cam hydroxylate or desaturate alkanes? QM and QM/MM studies Journal of Physical Chemistry Letters. 2: 2229-2235. DOI: 10.1021/Jz2007534  0.631
2010 Shaik S, Cohen S, Wang Y, Chen H, Kumar D, Thiel W. P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations. Chemical Reviews. 110: 949-1017. PMID 19813749 DOI: 10.1021/Cr900121S  0.531
2009 Jiang Y, Sivaramakrishnan S, Hayashi T, Cohen S, Moënne-Loccoz P, Shaik S, Ortiz de Montellano PR. Calculated and experimental spin state of seleno cytochrome P450. Angewandte Chemie (International Ed. in English). 48: 7193-5. PMID 19718734 DOI: 10.1002/Anie.200901485  0.501
2008 Cho KB, Hirao H, Chen H, Carvajal MA, Cohen S, Derat E, Thiel W, Shaik S. Compound I in heme thiolate enzymes: a comparative QM/MM study. The Journal of Physical Chemistry. A. 112: 13128-38. PMID 18850694 DOI: 10.1021/Jp806770Y  0.699
2006 Cohen S, Kozuch S, Hazan C, Shaik S. Does substrate oxidation determine the regioselectivity of cyclohexene and propene oxidation by cytochrome p450? Journal of the American Chemical Society. 128: 11028-9. PMID 16925412 DOI: 10.1021/Ja063269C  0.743
2006 Cohen S, Kumar D, Shaik S. In silico design of a mutant of cytochrome P450 containing selenocysteine. Journal of the American Chemical Society. 128: 2649-53. PMID 16492051 DOI: 10.1021/Ja056586C  0.483
2005 Derat E, Cohen S, Shaik S, Altun A, Thiel W. Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study. Journal of the American Chemical Society. 127: 13611-21. PMID 16190726 DOI: 10.1021/Ja0534046  0.67
2004 de Visser SP, Kumar D, Cohen S, Shacham R, Shaik S. A predictive pattern of computed barriers for C-h hydroxylation by compound I of cytochrome p450. Journal of the American Chemical Society. 126: 8362-3. PMID 15237977 DOI: 10.1021/Ja048528H  0.616
2004 Schöneboom JC, Cohen S, Lin H, Shaik S, Thiel W. Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanism. Journal of the American Chemical Society. 126: 4017-34. PMID 15038756 DOI: 10.1021/Ja039847W  0.513
2004 Kumar D, de Visser SP, Sharma PK, Cohen S, Shaik S. Radical clock substrates, their C-H hydroxylation mechanism by cytochrome P450, and other reactivity patterns: what does theory reveal about the clocks' behavior? Journal of the American Chemical Society. 126: 1907-20. PMID 14871124 DOI: 10.1021/Ja039439S  0.711
2004 Lin H, Schöneboom JC, Cohen S, Shaik S, Thiel W. QM/MM Study of the Product−Enzyme Complex in P450camCatalysis The Journal of Physical Chemistry B. 108: 10083-10088. DOI: 10.1021/Jp0493632  0.447
2004 Shaik S, Cohen S, de Visser SP, Sharma PK, Kumar D, Kozuch S, Ogliaro F, Danovich D. The “Rebound Controversy”: An Overview and Theoretical Modeling of the Rebound Step in C—H Hydroxylation by Cytochrome P450 Cheminform. 35. DOI: 10.1002/Ejic.200300448  0.751
2004 Shaik S, Cohen S, de Visser S, Sharma P, Kumar D, Kozuch S, Ogliaro F, Danovich D. The“Rebound Controversy”: An Overview and Theoretical Modeling of the Rebound Step in C−H Hydroxylation by Cytochrome P450 European Journal of Inorganic Chemistry. 2004: 207-226. DOI: 10.1002/ejic.200300448  0.75
2002 Schöneboom JC, Lin H, Reuter N, Thiel W, Cohen S, Ogliaro F, Shaik S. The elusive oxidant species of cytochrome P450 enzymes: Characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations Journal of the American Chemical Society. 124: 8142-8151. PMID 12095360 DOI: 10.1021/Ja026279W  0.744
2002 Ogliaro F, De Visser SP, Cohen S, Sharma PK, Shaik S. 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 Journal of the American Chemical Society. 124: 2806-2817. PMID 11890833 DOI: 10.1021/Ja0171963  0.757
2000 Ogliaro F, Cohen S, Filatov M, Harris N, Shaik S. 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. Angewandte Chemie (International Ed. in English). 39: 3851-3855. PMID 29711670 DOI: 10.1002/1521-3773(20001103)39:21<3851::Aid-Anie3851>3.0.Co;2-9  0.625
2000 Ogliaro F, Harris N, Cohen S, Filatov M, De Visser SP, Shaik S. A model 'rebound' mechanism of hydroxylation by cytochrome P450: Stepwise and effectively concerted pathways, and their reactivity patterns Journal of the American Chemical Society. 122: 8977-8989. DOI: 10.1021/Ja991878X  0.752
2000 Ogliaro F, Cohen S, De Visser SP, Shaik S. Medium polarization and hydrogen bonding effects on compound I of cytochrome P450: What kind of a radical is it really? [15] Journal of the American Chemical Society. 122: 12892-12893. DOI: 10.1021/Ja005619F  0.734
2000 Ogliaro F, Cohen S, Filatov M, Harris N, Shaik S. 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 Angewandte Chemie - International Edition. 39: 3851-3855. DOI: 10.1002/1521-3773(20001103)39:21<3851::AID-ANIE3851>3.0.CO;2-9  0.704
2000 Harris N, Cohen S, Filatov M, Ogliaro F, Shaik S. Zwei Reaktionswege beim „Wiederanbindungs”-Mechanismus der Alkanhydroxylierung durch Cytochrom P450: Entstehung freier Radikale mit begrenzter Lebensdauer Angewandte Chemie. 112: 2070-2074. DOI: 10.1002/1521-3757(20000602)112:11<2070::Aid-Ange2070>3.0.Co;2-U  0.73
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