Richard Lonsdale
Richard Lonsdale
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Does compound I vary significantly between isoforms of cytochrome P450?
R Lonsdale, J Oláh, AJ Mulholland, JN Harvey
Journal of the American Chemical Society 133 (39), 15464-15474, 2011
Inclusion of dispersion effects significantly improves accuracy of calculated reaction barriers for cytochrome P450 catalyzed reactions
R Lonsdale, JN Harvey, AJ Mulholland
The Journal of Physical Chemistry Letters 1 (21), 3232-3237, 2010
A practical guide to modelling enzyme-catalysed reactions
R Lonsdale, JN Harvey, AJ Mulholland
Chemical Society Reviews 41 (8), 3025-3038, 2012
Computational enzymology
R Lonsdale, KE Ranaghan, AJ Mulholland
Chemical communications 46 (14), 2354-2372, 2010
Structure-based design of targeted covalent inhibitors
R Lonsdale, RA Ward
Chemical Society Reviews 47 (11), 3816-3830, 2018
Compound I reactivity defines alkene oxidation selectivity in cytochrome P450cam
R Lonsdale, JN Harvey, AJ Mulholland
The Journal of Physical Chemistry B 114 (2), 1156-1162, 2010
Quantum mechanics/molecular mechanics modeling of regioselectivity of drug metabolism in cytochrome P450 2C9
R Lonsdale, KT Houghton, J Żurek, CM Bathelt, N Foloppe, MJ de Groot, ...
Journal of the American Chemical Society 135 (21), 8001-8015, 2013
Reshaping an enzyme binding pocket for enhanced and inverted stereoselectivity: use of smallest amino acid alphabets in directed evolution
Z Sun, R Lonsdale, XD Kong, JH Xu, J Zhou, MT Reetz
Angewandte Chemie 127 (42), 12587-12592, 2015
Catalytic asymmetric reduction of difficult-to-reduce ketones: triple-code saturation mutagenesis of an alcohol dehydrogenase
Z Sun, R Lonsdale, A Ilie, G Li, J Zhou, MT Reetz
ACS Catalysis 6 (3), 1598-1605, 2016
Effects of dispersion in density functional based quantum mechanical/molecular mechanical calculations on cytochrome P450 catalyzed reactions
R Lonsdale, JN Harvey, AJ Mulholland
Journal of Chemical Theory and Computation 8 (11), 4637-4645, 2012
Structure-guided triple-code saturation mutagenesis: efficient tuning of the stereoselectivity of an epoxide hydrolase
Z Sun, R Lonsdale, L Wu, G Li, A Li, J Wang, J Zhou, MT Reetz
ACS Catalysis 6 (3), 1590-1597, 2016
Determinants of reactivity and selectivity in soluble epoxide hydrolase from quantum mechanics/molecular mechanics modeling
R Lonsdale, S Hoyle, DT Grey, L Ridder, AJ Mulholland
Biochemistry 51 (8), 1774-1786, 2012
Oxidative addition of aryl chlorides to palladium N-heterocyclic carbene complexes and their role in catalytic arylamination
JC Green, BJ Herbert, R Lonsdale
Journal of organometallic chemistry 690 (24-25), 6054-6067, 2005
Simultaneous engineering of an enzyme's entrance tunnel and active site: the case of monoamine oxidase MAO-N
G Li, P Yao, R Gong, J Li, P Liu, R Lonsdale, Q Wu, J Lin, D Zhu, ...
Chemical science 8 (5), 4093-4099, 2017
Whole‐cell‐catalyzed multiple regio‐and stereoselective functionalizations in cascade reactions enabled by directed evolution
A Li, A Ilie, Z Sun, R Lonsdale, JH Xu, MT Reetz
Angewandte Chemie International Edition 55 (39), 12026-12029, 2016
Expanding the armory: predicting and tuning covalent warhead reactivity
R Lonsdale, J Burgess, N Colclough, NL Davies, EM Lenz, AL Orton, ...
Journal of chemical information and modeling 57 (12), 3124-3137, 2017
P450-catalyzed regio-and diastereoselective steroid hydroxylation: efficient directed evolution enabled by mutability landscaping
CG Acevedo-Rocha, CG Gamble, R Lonsdale, A Li, N Nett, ...
ACS Catalysis 8 (4), 3395-3410, 2018
Large-scale density functional theory transition state searching in enzymes
G Lever, DJ Cole, R Lonsdale, KE Ranaghan, DJ Wales, AJ Mulholland, ...
The journal of physical chemistry letters 5 (21), 3614-3619, 2014
A multiscale approach to modelling drug metabolism by membrane-bound cytochrome P450 enzymes
R Lonsdale, SL Rouse, MSP Sansom, AJ Mulholland
PLoS Comput Biol 10 (7), e1003714, 2014
Extreme synergistic mutational effects in the directed evolution of a Baeyer–Villiger monooxygenase as catalyst for asymmetric sulfoxidation
ZG Zhang, R Lonsdale, J Sanchis, MT Reetz
Journal of the American Chemical Society 136 (49), 17262-17272, 2014
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