| 1 |
Toward identification of the Compound I reactive intermediate in cytochrome P450 chemistry: A QM/MM study of its EPR and Mossbauer parameters
Schoneboom JC, Neese F, Thiel W
Journal of the American Chemical Society, 127(16), 5840, 2005 |
| 2 |
The resting state of p450(cam): A QM/MM study
Schoneboom JC, Thiel W
Journal of Physical Chemistry B, 108(22), 7468, 2004 |
| 3 |
QM/MM study of the product-enzyme complex in P450(cam) catalysis
Lin H, Schoneboom JC, Cohen S, Shaik S, Thiel W
Journal of Physical Chemistry B, 108(28), 10083, 2004 |
| 4 |
Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450(cam): Theory supports a two-state rebound mechanism
Schoneboom JC, Cohen S, Lin H, Shaik S, Thiel W
Journal of the American Chemical Society, 126(12), 4017, 2004 |
| 5 |
Cycloallenes. Part 17 . Computational assessment of the electronic structures of cyclohexa-1,2,4-triene, 1-oxacyclohexa-2,3,5-triene (3 delta(2)-pyran), their benzo derivatives, and cyclohexa-1,2-diene. An experimental approach to 3 delta(2)-pyran
Engels B, Schoneboom JC, Munster AF, Groetsch S, Christl M
Journal of the American Chemical Society, 124(2), 287, 2002 |
| 6 |
The elusive oxidant species of cytochrome P450 enzymes: Characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations
Schoneboom JC, Lin H, Reuter N, Thiel W, Cohen S, Ogliaro F, Shaik S
Journal of the American Chemical Society, 124(27), 8142, 2002 |
