| Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes B Meunier, SP De Visser, S Shaik Chemical reviews 104 (9), 3947-3980, 2004 | 2827 | 2004 |
| Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes S Shaik, D Kumar, SP de Visser, A Altun, W Thiel Chemical reviews 105 (6), 2279-2328, 2005 | 1299 | 2005 |
| A model “rebound” mechanism of hydroxylation by cytochrome P450: stepwise and effectively concerted pathways, and their reactivity patterns F Ogliaro, N Harris, S Cohen, M Filatov, SP de Visser, S Shaik Journal of the American Chemical Society 122 (37), 8977-8989, 2000 | 474 | 2000 |
| Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory S Shaik, SP De Visser, F Ogliaro, H Schwarz, D Schröder Current opinion in chemical biology 6 (5), 556-567, 2002 | 375 | 2002 |
| A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome P450 enzymes SP De Visser, S Shaik Journal of the American Chemical Society 125 (24), 7413-7424, 2003 | 345 | 2003 |
| What factors affect the regioselectivity of oxidation by cytochrome P450? A DFT study of allylic hydroxylation and double bond epoxidation in a model reaction SP De Visser, F Ogliaro, PK Sharma, S Shaik Journal of the American Chemical Society 124 (39), 11809-11826, 2002 | 333 | 2002 |
| Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis isomerization of the chromophore in the protein G Groenhof, M Bouxin-Cademartory, B Hess, SP De Visser, ... Journal of the American Chemical Society 126 (13), 4228-4233, 2004 | 327 | 2004 |
| 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 F Ogliaro, SP De Visser, S Cohen, PK Sharma, S Shaik Journal of the American Chemical Society 124 (11), 2806-2817, 2002 | 319 | 2002 |
| External electric field will control the selectivity of enzymatic-like bond activations S Shaik, SP De Visser, D Kumar Journal of the American Chemical Society 126 (37), 11746-11749, 2004 | 309 | 2004 |
| A valence bond modeling of trends in hydrogen abstraction barriers and transition states of hydroxylation reactions catalyzed by cytochrome P450 enzymes S Shaik, D Kumar, SP De Visser Journal of the American Chemical Society 130 (31), 10128-10140, 2008 | 265 | 2008 |
| Multi-state epoxidation of ethene by cytochrome P450: a quantum chemical study SP de Visser, F Ogliaro, N Harris, S Shaik Journal of the American Chemical Society 123 (13), 3037-3047, 2001 | 263 | 2001 |
| A predictive pattern of computed barriers for C− H hydroxylation by compound I of cytochrome P450 SP De Visser, D Kumar, S Cohen, R Shacham, S Shaik Journal of the American Chemical Society 126 (27), 8362-8363, 2004 | 253 | 2004 |
| Propene activation by the oxo-iron active species of taurine/α-ketoglutarate dioxygenase (TauD) enzyme. How does the catalysis compare to heme-enzymes? SP De Visser Journal of the American Chemical Society 128 (30), 9813-9824, 2006 | 224 | 2006 |
| Medium polarization and hydrogen bonding effects on compound I of cytochrome P450: what kind of a radical is it really? F Ogliaro, S Cohen, SP de Visser, S Shaik Journal of the American Chemical Society 122 (51), 12892-12893, 2000 | 219 | 2000 |
| Active species of horseradish peroxidase (HRP) and cytochrome P450: two electronic chameleons Sam P. deVisser,, S Shaik, PK Sharma, D Kumar, W Thiel Journal of the American Chemical Society 125 (51), 15779-15788, 2003 | 217 | 2003 |
| Theoretical study on the mechanism of the oxygen activation process in cysteine dioxygenase enzymes D Kumar, W Thiel, SP De Visser Journal of the American Chemical Society 133 (11), 3869-3882, 2011 | 215 | 2011 |
| Trends in substrate hydroxylation reactions by heme and nonheme iron (IV)-oxo oxidants give correlations between intrinsic properties of the oxidant with barrier height SP De Visser Journal of the American Chemical Society 132 (3), 1087-1097, 2010 | 197 | 2010 |
| Combined Experimental and Theoretical Study on Aromatic Hydroxylation by Mononuclear Nonheme Iron (IV)− Oxo Complexes SP De Visser, K Oh, AR Han, W Nam Inorganic chemistry 46 (11), 4632-4641, 2007 | 194 | 2007 |
| Radical Clock Substrates, Their C− H Hydroxylation Mechanism by Cytochrome P450, and Other Reactivity Patterns: What Does Theory Reveal about the Clocks' Behavior? D Kumar, SP De Visser, PK Sharma, S Cohen, S Shaik Journal of the American Chemical Society 126 (6), 1907-1920, 2004 | 190 | 2004 |
| What factors influence the rate constant of substrate epoxidation by compound I of cytochrome P450 and analogous iron (IV)-oxo oxidants? D Kumar, B Karamzadeh, GN Sastry, SP De Visser Journal of the American Chemical Society 132 (22), 7656-7667, 2010 | 182 | 2010 |
