Works matching AU Masgrau, Laura
Results: 15
Analysis of Classical and Quantum Paths for Deprotonation of Methylamine by Methylamine Dehydrogenase.
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- ChemPhysChem, 2007, v. 8, n. 12, p. 1816, doi. 10.1002/cphc.200700143
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Is Regioselectivity in the Enzyme-Catalyzed Hydroperoxidation of Arachidonic Acid Necessarily Determined by Hydrogen Abstraction? The Case of Rabbit Leu597Ala/Ile663Ala ALOX15 Mutant.
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- ChemPhysChem, 2016, v. 17, n. 20, p. 3321, doi. 10.1002/cphc.201600534
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Introducing Mutations to Modify the C13/C9 Ratio in Linoleic Acid Oxygenations Catalyzed by Rabbit 15-Lipoxygenase: A QM/MM and MD Study.
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- ChemPhysChem, 2014, v. 15, n. 18, p. 4049, doi. 10.1002/cphc.201402471
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Regio- and Stereospecificity in the Oxygenation of Arachidonic Acid Catalyzed by Leu597 Mutants of Rabbit 15-Lipoxygenase: A QM/MM Study.
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- ChemPhysChem, 2014, v. 15, n. 11, p. 2303, doi. 10.1002/cphc.201402045
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On the Regio- and Stereospecificity of Arachidonic Acid Peroxidation Catalyzed by Mammalian 15-Lypoxygenases: A Combined Molecular Dynamics and QM/MM.
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- ChemPhysChem, 2013, v. 14, n. 16, p. 3777, doi. 10.1002/cphc.201300629
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The curvature of the Arrhenius plots predicted by conventional canonical transition-state theory in the absence of tunneling.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 5, p. 352, doi. 10.1007/s00214-003-0484-9
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Natural mutations of the anti-Müllerian hormone type II receptor found in persistent Müllerian duct syndrome affect ligand binding, signal transduction and cellular transport.
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- Human Molecular Genetics, 2009, v. 18, n. 16, p. 3002, doi. 10.1093/hmg/ddp238
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The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33180-5
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Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
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- Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-09691-z
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A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
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- Angewandte Chemie, 2015, v. 127, n. 34, p. 10036, doi. 10.1002/ange.201504617
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Substrate binding to mammalian 15-lipoxygenase.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 825, doi. 10.1007/s10822-011-9466-5
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Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: A key to allosteric behavior of this class of enzymes?
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- Proteins, 2012, v. 80, n. 3, p. 703, doi. 10.1002/prot.23227
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A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 34, p. 9898, doi. 10.1002/anie.201504617
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Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH<sub>3</sub>SH → CH<sub>3</sub>S + H<sub>2</sub>O as an example.
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- Journal of Computational Chemistry, 2003, v. 24, n. 6, p. 701
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Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling.
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- Journal of Computational Chemistry, 1999, v. 20, n. 16, p. 1685, doi. 10.1002/(SICI)1096-987X(199912)20:16<1685::AID-JCC1>3.0.CO;2-9
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