| 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 | 390 | 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 | 110 | 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 | 89 | 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 | 78 | 2004 |
| 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 | 63 | 2009 |
| 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 | 62 | 2016 |
| 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 | 60* | 2001 |
| 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 | 59 | 2007 |
| The importance of ensemble averaging in enzyme kinetics L Masgrau, DG Truhlar Accounts of chemical research 48 (2), 431-438, 2015 | 53 | 2015 |
| 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 | 52 | 2019 |
| 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 | 47 | 2002 |
| 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 | 44 | 2014 |
| Substrate-assisted and nucleophilically assisted catalysis in bovine α1, 3-galactosyltransferase. Mechanistic implications for retaining glycosyltransferases H Gómez, JM Lluch, L Masgrau Journal of the American Chemical Society 135 (18), 7053-7063, 2013 | 44 | 2013 |
| 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 | 43 | 2012 |
| 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 | 43 | 2010 |
| 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 | 42 | 1999 |
| 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 | 40 | 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 | 39 | 2015 |
| 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 | 37 | 2014 |
| Variational transition-state theory rate constant calculations of the OH+ CH3SH reaction and several isotopic variants L Masgrau, À González-Lafont, JM Lluch The Journal of Physical Chemistry A 107 (22), 4490-4496, 2003 | 37 | 2003 |
Nigel ScruttonProfessor of Enzymology, Manchester Institute of Biotechnology (MIB) and School of ChemistryVerified email at manchester.ac.uk
