Laura Masgrau
Laura Masgrau
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Atomic description of an enzyme reaction dominated by proton tunneling
L Masgrau, A Roujeinikova, LO Johannissen, P Hothi, J Basran, ...
Science 312 (5771), 237-241, 2006
Retaining glycosyltransferase mechanism studied by QM/MM methods: Lipopolysaccharyl-α-1, 4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition …
H Gomez, I Polyak, W Thiel, JM Lluch, L Masgrau
Journal of the American Chemical Society 134 (10), 4743-4752, 2012
Hydrogen tunnelling in enzyme-catalysed H-transfer reactions: flavoprotein and quinoprotein systems
MJ Sutcliffe, L Masgrau, A Roujeinikova, LO Johannissen, P Hothi, ...
Philosophical Transactions of the Royal Society B: Biological Sciences 361 …, 2006
Hydrogen tunneling in quinoproteins
L Masgrau, J Basran, P Hothi, MJ Sutcliffe, NS Scrutton
Archives of biochemistry and biophysics 428 (1), 41-51, 2004
Evolutionary alteration of ALOX15 specificity optimizes the biosynthesis of antiinflammatory and proresolving lipoxins
S Adel, F Karst, À González-Lafont, M Pekárová, P Saura, L Masgrau, ...
Proceedings of the National Academy of Sciences 113 (30), E4266-E4275, 2016
Defective AMH signaling disrupts GnRH neuron development and function and contributes to hypogonadotropic hypogonadism
SA Malone, GE Papadakis, A Messina, NEH Mimouni, S Trova, ...
eLife 8, 2019
Tunneling and classical paths for proton transfer in an enzyme reaction dominated by tunneling: oxidation of tryptamine by aromatic amine dehydrogenase
L Masgrau, KE Ranaghan, NS Scrutton, AJ Mulholland, MJ Sutcliffe
The Journal of Physical Chemistry B 111 (11), 3032-3047, 2007
The importance of ensemble averaging in enzyme kinetics
L Masgrau, DG Truhlar
Accounts of chemical research 48 (2), 431-438, 2015
Natural mutations of the anti-Müllerian hormone type II receptor found in persistent Müllerian duct syndrome affect ligand binding, signal transduction and cellular transport
C Belville, JD Maréchal, S Pennetier, P Carmillo, L Masgrau, ...
Human Molecular Genetics 18 (16), 3002-3013, 2009
The reactions and as a test of current direct dynamics computational methods to determine variational transition-state rate …
L Masgrau, A González-Lafont, JM Lluch
The Journal of Chemical Physics 114 (5), 2154-2165, 2001
Ligand‐induced formation of transient dimers of mammalian 12/15‐lipoxygenase: A key to allosteric behavior of this class of enzymes?
I Ivanov, W Shang, L Toledo, L Masgrau, DI Svergun, S Stehling, ...
Proteins: Structure, Function, and Bioinformatics 80 (3), 703-712, 2012
Variational transition-state theory rate constant calculations with multidimensional tunneling corrections of the reaction of acetone with OH
L Masgrau, À González-Lafont, JM Lluch
The Journal of Physical Chemistry A 106 (48), 11760-11770, 2002
Substrate-assisted and nucleophilically assisted catalysis in bovine α1, 3-galactosyltransferase. Mechanistic implications for retaining glycosyltransferases
H Gomez, JM Lluch, L Masgrau
Journal of the American Chemical Society 135 (18), 7053-7063, 2013
A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide: GalNAc transferase-T2
H Gómez, R Rojas, D Patel, LA Tabak, JM Lluch, L Masgrau
Organic & biomolecular chemistry 12 (17), 2645-2655, 2014
Unraveling how enzymes can use bulky residues to drive site-selective C–H activation: The case of mammalian lipoxygenases catalyzing arachidonic acid oxidation
P Saura, R Suardíaz, L Masgrau, JM Lluch, A Gonzalez-Lafont
ACS Catalysis 4 (12), 4351-4363, 2014
Insights into the mechanism of binding of arachidonic acid to mammalian 15-lipoxygenases
L Toledo, L Masgrau, JD Marechal, JM Lluch, A Gonzalez-Lafont
The Journal of Physical Chemistry B 114 (20), 7037-7046, 2010
Analysis of classical and quantum paths for deprotonation of methylamine by methylamine dehydrogenase
KE Ranaghan, L Masgrau, NS Scrutton, MJ Sutcliffe, AJ Mulholland
ChemPhysChem 8 (12), 1816-1835, 2007
A native ternary complex trapped in a crystal reveals the catalytic mechanism of a retaining glycosyltransferase
D Albesa‐Jové, F Mendoza, A Rodrigo‐Unzueta, F Gomollón‐Bel, ...
Angewandte Chemie International Edition 54 (34), 9898-9902, 2015
Mechanism of the Gas-Phase HO + H2O → H2O + OH Reaction and Several Associated Isotope Exchange Reactions:  A Canonical Variational Transition State …
L Masgrau, A Gonzalez-Lafont, JM Lluch
The Journal of Physical Chemistry A 103 (8), 1044-1053, 1999
Understanding the mechanism of the hydrogen abstraction from arachidonic acid catalyzed by the human enzyme 15-lipoxygenase-2. A quantum mechanics/molecular mechanics free …
R Suardiaz, PG Jambrina, L Masgrau, A Gonzalez-Lafont, E Rosta, ...
Journal of chemical theory and computation 12 (4), 2079-2090, 2016
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