| Structure-based design of targeted covalent inhibitors R Lonsdale, RA Ward Chemical Society Reviews 47 (11), 3816-3830, 2018 | 308 | 2018 |
| A practical guide to modelling enzyme-catalysed reactions R Lonsdale, JN Harvey, AJ Mulholland Chemical Society Reviews 41 (8), 3025-3038, 2012 | 201 | 2012 |
| 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 | 197 | 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 | 177 | 2010 |
| 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 | 148 | 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 | 142 | 2018 |
| Computational enzymology R Lonsdale, KE Ranaghan, AJ Mulholland Chemical communications 46 (14), 2354-2372, 2010 | 141 | 2010 |
| 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 | 130 | 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 | 129 | 2013 |
| 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 | 125 | 2016 |
| 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 | 118 | 2016 |
| 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 | 117 | 2015 |
| 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 | 105 | 2017 |
| 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 | 104 | 2012 |
| 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 128 (39), 12205-12208, 2016 | 85 | 2016 |
| 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 | 78 | 2005 |
| 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 | 75 | 2012 |
| 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 | 71 | 2014 |
| 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 | 60 | 2014 |
| Exploring substrate scope and stereoselectivity of P450 peroxygenase OleT JE in olefin-forming oxidative decarboxylation J Wang, R Lonsdale, MT Reetz Chemical Communications 52 (52), 8131-8133, 2016 | 56 | 2016 |
