Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9

Richard Lonsdale, Kerensa T. Houghton, Jolanta Zurek, Christine M. Bathelt, Nicolas Foloppe, Marcel J. de Groot, Jeremy N. Harvey^*, Adrian J. Mulholland

^*Corresponding author for this work

School of Chemistry
Synthesis
Supramolecular and Mechanistic Chemistry
Catalysis
Biological and Archaeological Chemistry
Computational and Theoretical Chemistry
Infection and Immunity

Research output: Contribution to journal › Article (Academic Journal) › peer-review

109 Citations (Scopus)

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CCP-BioSim: Biomolecular simulation at the life sciences interface
Mulholland, A. J.
1/10/11 → 1/10/15
Project: Research
COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
Mulholland, A. J.
1/10/08 → 1/04/14
Project: Research

Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9

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CCP-BioSim: Biomolecular simulation at the life sciences interface

COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE