Suchergebnisse - "Mulholland, Adrian J"

PubPharm (9)

1

Trends in predicted chemoselectivity of cytochrome P450 oxidation : B3LYP barrier heights for epoxidation and hydroxylation reactions

enthalten in: Journal of molecular graphics & modelling | 2014

von Rydberg, P. | Lonsdale, R. | Harvey, J. | +2

2

QM/MM modelling of drug-metabolizing enzymes

enthalten in: Current topics in medicinal chemistry | 2014

von Lonsdale, R. | Mulholland, A.

3

A practical guide to modelling enzyme-catalysed reactions

enthalten in: Chemical Society reviews | 2012

von Lonsdale, R. | Harvey, J. | Mulholland, A.

4

Does compound I vary significantly between isoforms of cytochrome P450?

enthalten in: Journal of the American Chemical Society | 2011

von Lonsdale, R. | Oláh, J. | Mulholland, A. | +1

5

Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450

enthalten in: Proceedings of the National Academy of Sciences of the United States of America | 2011

von Oláh, J. | Mulholland, A. | Harvey, J.

6

QM/MM modeling of compound I active species in cytochrome P450, cytochrome C peroxidase, and ascorbate peroxidase

enthalten in: Journal of computational chemistry | 2006

von Harvey, J. | Bathelt, C. | Mulholland, A.

7

Electronic structure of compound I in human isoforms of cytochrome P450 from QM/MM modeling

enthalten in: Journal of the American Chemical Society | 2005

von Bathelt, C. | Zurek, J. | Mulholland, A. | +1

8

Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450

enthalten in: Organic & biomolecular chemistry | 2004

von Bathelt, C. | Ridder, L. | Mulholland, A. | +1

9

Aromatic hydroxylation by cytochrome P450 : model calculations of mechanism and substituent effects

enthalten in: Journal of the American Chemical Society | 2003

von Bathelt, C. | Ridder, L. | Mulholland, A. | +1

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