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Entries: 1-8  
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New features in the catalytic cycle of cytochrome P450 during the formation of compound I from compound 0
Authors: Kumar, D.; Hirao, H.; de Visser, S. P.; Zheng, J.; Wang, D.; Thiel, W.; Shaik, S.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Physical Chemistry B
Volume: 109
Issue / Number: 42
Start Page: 19946
End Page: 19951
Document Type: Article
ID: 265696.0
Principal active species of horseradish peroxidase, compound I: A hybrid quantum mechanical/molecular mechanical study
Authors: Derat, E.; Cohen, S.; Shaik, S.; Altun, A.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of the American Chemical Society
Volume: 127
Issue / Number: 39
Start Page: 13611
End Page: 13621
Document Type: Article
ID: 265834.0
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes
Authors: Shaik, S.; Kumar, D.; de Visser, S. P.; Altun, A.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Chemical Reviews
Volume: 105
Issue / Number: 6
Start Page: 2279
End Page: 2328
Document Type: Article
ID: 265932.0
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450
Authors: Hirao, H.; Kumar, D.; Thiel, W.; Shaik, S.
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of the American Chemical Society
Volume: 127
Issue / Number: 37
Start Page: 13007
End Page: 13018
Document Type: Article
ID: 265947.0
QM/MM study of the product-enzyme complex in P450cam catalysis
Authors: Lin, H.; Schoneboom, J. C.; Cohen, S.; Shaik, S.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Journal of Physical Chemistry B
Volume: 108
Issue / Number: 28
Start Page: 10083
End Page: 10088
Document Type: Article
ID: 218442.0
Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: Theory supports a two-state rebound mechanism
Authors: Schöneboom, J. C.; Cohen, S.; Lin, H.; Shaik, S.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Journal of the American Chemical Society
Volume: 126
Issue / Number: 12
Start Page: 4017
End Page: 4034
Document Type: Article
ID: 218512.0
Active species of horseradish peroxidase (HRP) and cytochrome P450: Two electronic chameleons
Authors: de Visser, S. P.; Shaik, S.; Sharma, P. K.; Kumar, D.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2003-12-24
Title of Journal: Journal of the American Chemical Society
Volume: 125
Issue / Number: 51
Start Page: 15779
End Page: 15788
Document Type: Article
ID: 116971.0
The Elusive Oxidant Species of Cytochrome P450 Enzymes: Characterization by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations
Authors: Schöneboom, J. C.; Lin, H.; Reuter, N.; Thiel, W.; Cohen, S.; Ogliaro, F.; Shaik, S.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: Journal of the American Chemical Society
Volume: 124
Start Page: 8142
End Page: 8151
Document Type: Article
ID: 25739.0
Entries: 1-8  
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