Publikationen von D. Kumar
Alle Typen
Zeitschriftenartikel (11)
2011
Zeitschriftenartikel
148, S. 373 - 383 (2011)
Water as biocatalyst in cytochrome P450. Faraday Discussions
Zeitschriftenartikel
133, S. 3869 - 3882 (2011)
Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes. Journal of the American Chemical Society 2010
Zeitschriftenartikel
15, S. 361 - 372 (2010)
Coupling and uncoupling mechanisms in the methoxythreonine mutant of cytochrome P450cam: A quantum mechanical/molecular mechanical study. Journal of Biological Inorganic Chemistry
Zeitschriftenartikel
110, S. 949 - 1017 (2010)
P450 Enzymes: Their Structure, Reactivity, and Selectivity-Modeled by QM/MM Calculations. Chemical Reviews 2009
Zeitschriftenartikel
131, S. 4755 - 4763 (2009)
How is the Reactivity of Cytochrome P450cam Affected by Thr252X Mutation? A QM/MM Study for X = Serine, Valine, Alanine, Glycine. Journal of the American Chemical Society
Zeitschriftenartikel
113, S. 9577 - 9588 (2009)
QM/MM Study of the Second Proton Transfer in the Catalytic Cycle of the D251N Mutant of Cytochrome P450cam. Journal of Physical Chemistry B 2008
Zeitschriftenartikel
112 (50), S. 12904 - 12910 (2008)
Multireference Ab Initio Quantum Mechanics/Molecular Mechanics Study on Intermediates in the Catalytic Cycle of Cytochrome P450cam. The Journal of Physical Chemistry A 2005
Zeitschriftenartikel
127 (37), S. 13007 - 13018 (2005)
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450. Journal of the American Chemical Society
Zeitschriftenartikel
109 (42), S. 19946 - 19951 (2005)
New features in the catalytic cycle of cytochrome P450 during the formation of compound I from compound 0. Journal of Physical Chemistry B
Zeitschriftenartikel
105 (6), S. 2279 - 2328 (2005)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes. Chemical Reviews 2003
Zeitschriftenartikel
125 (51), S. 15779 - 15788 (2003)
Active species of horseradish peroxidase (HRP) and cytochrome P450: Two electronic chameleons. Journal of the American Chemical Society