Shimirit Cohen, Ph. D
Affiliations: | Chemistry | Hebrew University, Jerusalem, Jerusalem, Israel |
Area:
Cytochrome P450s, Mass Spectrometry,Google:
"Shimirit Cohen"Mean distance: 8.6
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Publications
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| Lai W, Chen H, Cohen S, et al. (2011) Will P450 cam hydroxylate or desaturate alkanes? QM and QM/MM studies Journal of Physical Chemistry Letters. 2: 2229-2235 |
| Shaik S, Cohen S, Wang Y, et al. (2010) P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations. Chemical Reviews. 110: 949-1017 |
| Jiang Y, Sivaramakrishnan S, Hayashi T, et al. (2009) Calculated and experimental spin state of seleno cytochrome P450. Angewandte Chemie (International Ed. in English). 48: 7193-5 |
| Cho KB, Hirao H, Chen H, et al. (2008) Compound I in heme thiolate enzymes: a comparative QM/MM study. The Journal of Physical Chemistry. A. 112: 13128-38 |
| Cohen S, Kozuch S, Hazan C, et al. (2006) Does substrate oxidation determine the regioselectivity of cyclohexene and propene oxidation by cytochrome p450? Journal of the American Chemical Society. 128: 11028-9 |
| Cohen S, Kumar D, Shaik S. (2006) In silico design of a mutant of cytochrome P450 containing selenocysteine. Journal of the American Chemical Society. 128: 2649-53 |
| Derat E, Cohen S, Shaik S, et al. (2005) Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study. Journal of the American Chemical Society. 127: 13611-21 |
| de Visser SP, Kumar D, Cohen S, et al. (2004) 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 |
| Schöneboom JC, Cohen S, Lin H, et al. (2004) 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 |
| Kumar D, de Visser SP, Sharma PK, et al. (2004) 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 |