Publications of D. Kumar
All genres
Journal Article (11)
2011
Journal Article
148, pp. 373 - 383 (2011)
Water as biocatalyst in cytochrome P450. Faraday Discussions
Journal Article
133, pp. 3869 - 3882 (2011)
Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes. Journal of the American Chemical Society 2010
Journal Article
15, pp. 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
Journal Article
110, pp. 949 - 1017 (2010)
P450 Enzymes: Their Structure, Reactivity, and Selectivity-Modeled by QM/MM Calculations. Chemical Reviews 2009
Journal Article
131, pp. 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
Journal Article
113, pp. 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
Journal Article
112 (50), pp. 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
Journal Article
127 (37), pp. 13007 - 13018 (2005)
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450. Journal of the American Chemical Society
Journal Article
109 (42), pp. 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
Journal Article
105 (6), pp. 2279 - 2328 (2005)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes. Chemical Reviews 2003
Journal Article
125 (51), pp. 15779 - 15788 (2003)
Active species of horseradish peroxidase (HRP) and cytochrome P450: Two electronic chameleons. Journal of the American Chemical Society