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Biochemical Society Transactions|May 24, 2012
Protein dynamics and enzyme catalysis: the ghost in the machine?David R Glowacki, Jeremy N Harvey, Adrian J MulhollandNature Chemistry|February 23, 2012
Taking Ockham's razor to enzyme dynamics and catalysisDavid R Glowacki, Jeremy N Harvey, Adrian J MulhollandJournal of Chemical Theory and Computation|November 26, 2015
Effects of Dispersion in Density Functional Based Quantum Mechanical/Molecular Mechanical Calculations on Cytochrome P450 Catalyzed ReactionsRichard Lonsdale, Jeremy N Harvey, Adrian J MulhollandThe Journal of Physical Chemistry. B|December 18, 2009
Compound I reactivity defines alkene oxidation selectivity in cytochrome P450camRichard Lonsdale, Jeremy N Harvey, Adrian J MulhollandProceedings of the National Academy of Sciences of the United States of America|March 30, 2011
Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450Julianna Oláh, Adrian J Mulholland, Jeremy N HarveyBiophysical Journal|January 3, 2006
The Fe-CO bond energy in myoglobin: a QM/MM study of the effect of tertiary structureNikki Strickland, Adrian J Mulholland, Jeremy N HarveyChemical Society Reviews|January 27, 2012
A practical guide to modelling enzyme-catalysed reactionsRichard Lonsdale, Jeremy N Harvey, Adrian J MulhollandJournal of Computational Chemistry|June 22, 2006
QM/MM modeling of compound I active species in cytochrome P450, cytochrome C peroxidase, and ascorbate peroxidaseJeremy N Harvey, Christine M Bathelt, Adrian J MulhollandDalton Transactions (Cambridge, England : 2003)|October 20, 2005
QM/MM studies of the electronic structure of the compound I intermediate in cytochrome c peroxidase and ascorbate peroxidaseChristine M Bathelt, Adrian J Mulholland, Jeremy N HarveyThe Journal of Physical Chemistry. A|August 30, 2008
QM/MM modeling of benzene hydroxylation in human cytochrome P450 2C9Christine M Bathelt, Adrian J Mulholland, Jeremy N HarveyPageof 42