Devesh Kumar

发表

To Identity Principal Causes Of Construction Delay

Ankur Trivedi, Devesh Kumar, Manoj K. Sharma, 2017 .

A predictive pattern of computed barriers for C-h hydroxylation by compound I of cytochrome p450.

Sason Shaik, Shimrit Cohen, Devesh Kumar, 2004, Journal of the American Chemical Society.

Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?

Sason Shaik, Hajime Hirao, Devesh Kumar, 2005, Journal of the American Chemical Society.

Active species of horseradish peroxidase (HRP) and cytochrome P450: two electronic chameleons.

Sason Shaik, Walter Thiel, Devesh Kumar, 2003, Journal of the American Chemical Society.

How does product isotope effect prove the operation of a two-state "rebound" mechanism in C-H hydroxylation by cytochrome P450?

Sason Shaik, Devesh Kumar, S. Shaik, 2003, Journal of the American Chemical Society.

What factors influence the rate constant of substrate epoxidation by compound I of cytochrome P450 and analogous iron(IV)-oxo oxidants?

Devesh Kumar, S. D. de Visser, Devesh Kumar, 2010, Journal of the American Chemical Society.

Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450.

Sason Shaik, Walter Thiel, Hajime Hirao, 2005, Journal of the American Chemical Society.

A density functional study of the factors that influence the regioselectivity of toluene hydroxylation by cytochrome P450 enzymes

Sason Shaik, Sam P. de Visser, Devesh Kumar, 2007 .

P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations.

Yong Wang, Sason Shaik, Walter Thiel, 2010, Chemical reviews.

Inversion of enantioselectivity of a mononuclear non-heme iron(II)-dependent hydroxylase by tuning the interplay of metal-center geometry and protein structure.

Erich Leitner, Devesh Kumar, E. Leitner, 2013, Angewandte Chemie.

The "Rebound Controversy": An Overview and Theoretical Modeling of the Rebound Step in C-H Hydroxylation by Cytochrome P450

Sason Shaik, Sebastian Kozuch, David Danovich, 2004 .

Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many states.

Sason Shaik, Hajime Hirao, Devesh Kumar, 2007, Accounts of chemical research.

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

Sason Shaik, Walter Thiel, Devesh Kumar, 2005, Chemical reviews.

Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes

Sason Shaik, Walter Thiel, Devesh Kumar, 2005 .

Drug metabolism by cytochrome p450 enzymes: what distinguishes the pathways leading to substrate hydroxylation over desaturation?

Jing Zhang, Rudi van Eldik, Devesh Kumar, 2015, Chemistry.

Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes.

Sason Shaik, Hajime Hirao, Devesh Kumar, 2006, Journal of the American Chemical Society.

External electric field will control the selectivity of enzymatic-like bond activations.

Sason Shaik, Devesh Kumar, S. Shaik, 2004, Journal of the American Chemical Society.