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1 |
Material Type: Artigo
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Reduction of α,β-Unsaturated Ketones by Old Yellow Enzymes: Mechanistic Insights from Quantum Mechanics/Molecular Mechanics CalculationsLonsdale, Richard ; Reetz, Manfred TJournal of the American Chemical Society, 2015-11, Vol.137 (46), p.14733-14742 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Modeling of Drug Metabolism: Mexiletine N‑Hydroxylation by Cytochrome P450 1A2Lonsdale, Richard ; Fort, Rachel M ; Rydberg, Patrik ; Harvey, Jeremy N ; Mulholland, Adrian JChemical research in toxicology, 2016-06, Vol.29 (6), p.963-971 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9Lonsdale, Richard ; Houghton, Kerensa T ; Żurek, Jolanta ; Bathelt, Christine M ; Foloppe, Nicolas ; de Groot, Marcel J ; Harvey, Jeremy N ; Mulholland, Adrian JJournal of the American Chemical Society, 2013-05, Vol.135 (21), p.8001-8015 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics ModelingLonsdale, Richard ; Hoyle, Simon ; Grey, Daniel T ; Ridder, Lars ; Mulholland, Adrian JBiochemistry (Easton), 2012-02, Vol.51 (8), p.1774-1786 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Modeling of Drug Metabolism: Mexiletine N-Hydroxylation by Cytochrome P450 1A2Lonsdale, Richard ; Fort, Rachel M ; Rydberg, Patrik ; Harvey, Jeremy N ; Mulholland, Adrian JChemical Research in Toxicology, 2016, Vol.29 (6), p.963-971 [Periódico revisado por pares]WASHINGTON: American Chemical SocietyTexto completo disponível |
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6 |
Material Type: Artigo
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QM/MM Modelling of Drug-Metabolizing EnzymesLonsdale, Richard ; Mulholland, AdrianCurrent topics in medicinal chemistry, 2014-06, Vol.14 (11), p.1339-1347 [Periódico revisado por pares]Bentham Science Publishers LtdTexto completo disponível |
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7 |
Material Type: Artigo
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Does Compound I Vary Significantly between Isoforms of Cytochrome P450?Lonsdale, Richard ; Oláh, Julianna ; Mulholland, Adrian J ; Harvey, Jeremy NJournal of the American Chemical Society, 2011-10, Vol.133 (39), p.15464-15474 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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8 |
Material Type: Artigo
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A multiscale approach to modelling drug metabolism by membrane-bound cytochrome P450 enzymesLonsdale, Richard ; Rouse, Sarah L ; Sansom, Mark S P ; Mulholland, Adrian J Punta, MarcoPLoS computational biology, 2014-07, Vol.10 (7), p.e1003714 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
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9 |
Material Type: Artigo
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A Multiscale Approach to Modelling Drug Metabolism by Membrane-Bound Cytochrome P450 Enzymes: e1003714Lonsdale, Richard ; Rouse, Sarah L ; Sansom, Mark SP ; Mulholland, Adrian JPLoS computational biology, 2014-07, Vol.10 (7) [Periódico revisado por pares]San Francisco: Public Library of ScienceTexto completo disponível |
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10 |
Material Type: Artigo
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Computational enzymologyLonsdale, Richard ; Ranaghan, Kara E ; Mulholland, Adrian JChemical communications (Cambridge, England), 2010-01, Vol.46 (14), p.2354-2372 [Periódico revisado por pares]EnglandTexto completo disponível |