Works matching AU Masgrau, Laura

Results: 15

Analysis of Classical and Quantum Paths for Deprotonation of Methylamine by Methylamine Dehydrogenase.

Published in:

ChemPhysChem, 2007, v. 8, n. 12, p. 1816, doi. 10.1002/cphc.200700143

By:

Ranaghan, Kara E.;
Masgrau, Laura;
Scrutton, Nigel S.;
Sutcliffe, Michael J.;
Mulholland, Adrian J.

Publication type:

Article

Substrate binding to mammalian 15-lipoxygenase.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 825, doi. 10.1007/s10822-011-9466-5

By:

Toledo, Lea;
Masgrau, Laura;
Lluch, José;
González-Lafont, Àngels

Publication type:

Article

The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33180-5

By:

Luang, Sukanya;
Fernández-Luengo, Xavier;
Nin-Hill, Alba;
Streltsov, Victor A.;
Schwerdt, Julian G.;
Alonso-Gil, Santiago;
Ketudat Cairns, James R.;
Pradeau, Stéphanie;
Fort, Sébastien;
Maréchal, Jean-Didier;
Masgrau, Laura;
Rovira, Carme;
Hrmova, Maria

Publication type:

Article

Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: A key to allosteric behavior of this class of enzymes?

Published in:

Proteins, 2012, v. 80, n. 3, p. 703, doi. 10.1002/prot.23227

By:

Ivanov, Igor;
Shang, Weifeng;
Toledo, Lea;
Masgrau, Laura;
Svergun, Dmitri I.;
Stehling, Sabine;
Gómez, Hansel;
Di Venere, Almerinda;
Mei, Giampiero;
Lluch, José M.;
Skrzypczak-Jankun, Ewa;
González-Lafont, Àngels;
Kühn, Hartmut

Publication type:

Article

Is Regioselectivity in the Enzyme-Catalyzed Hydroperoxidation of Arachidonic Acid Necessarily Determined by Hydrogen Abstraction? The Case of Rabbit Leu597Ala/Ile663Ala ALOX15 Mutant.

Published in:

ChemPhysChem, 2016, v. 17, n. 20, p. 3321, doi. 10.1002/cphc.201600534

By:

Saura, Patricia;
Masgrau, Laura;
Heydeck, Dagmar;
Kühn, Hartmut;
Lluch, José M.;
González‐Lafont, Àngels

Publication type:

Article

Introducing Mutations to Modify the C13/C9 Ratio in Linoleic Acid Oxygenations Catalyzed by Rabbit 15-Lipoxygenase: A QM/MM and MD Study.

Published in:

ChemPhysChem, 2014, v. 15, n. 18, p. 4049, doi. 10.1002/cphc.201402471

By:

Suardíaz, Reynier;
Masgrau, Laura;
Lluch, José M.;
González‐Lafont, Àngels

Publication type:

Article

Regio- and Stereospecificity in the Oxygenation of Arachidonic Acid Catalyzed by Leu597 Mutants of Rabbit 15-Lipoxygenase: A QM/MM Study.

Published in:

ChemPhysChem, 2014, v. 15, n. 11, p. 2303, doi. 10.1002/cphc.201402045

By:

Suardíaz, Reynier;
Masgrau, Laura;
Lluch, José M.;
González‐Lafont, Àngels

Publication type:

Article

On the Regio- and Stereospecificity of Arachidonic Acid Peroxidation Catalyzed by Mammalian 15-Lypoxygenases: A Combined Molecular Dynamics and QM/MM.

Published in:

ChemPhysChem, 2013, v. 14, n. 16, p. 3777, doi. 10.1002/cphc.201300629

By:

Suardíaz, Reynier;
Masgrau, Laura;
Lluch, José M.;
González‐Lafont, Àngels

Publication type:

Article

A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.

Published in:

Angewandte Chemie, 2015, v. 127, n. 34, p. 10036, doi. 10.1002/ange.201504617

By:

Albesa ‐ Jové, David;
Mendoza, Fernanda;
Rodrigo ‐ Unzueta, Ane;
Gomollón ‐ Bel, Fernando;
Cifuente, Javier O.;
Urresti, Saioa;
Comino, Natalia;
Gómez, Hansel;
Romero ‐ García, Javier;
Lluch, José M.;
Sancho ‐ Vaello, Enea;
Biarnés, Xevi;
Planas, Antoni;
Merino, Pedro;
Masgrau, Laura;
Guerin, Marcelo E.

Publication type:

Article

A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.

Published in:

Angewandte Chemie International Edition, 2015, v. 54, n. 34, p. 9898, doi. 10.1002/anie.201504617

By:

Albesa‐Jové, David;
Mendoza, Fernanda;
Rodrigo‐Unzueta, Ane;
Gomollón‐Bel, Fernando;
Cifuente, Javier O.;
Urresti, Saioa;
Comino, Natalia;
Gómez, Hansel;
Romero‐García, Javier;
Lluch, José M.;
Sancho‐Vaello, Enea;
Biarnés, Xevi;
Planas, Antoni;
Merino, Pedro;
Masgrau, Laura;
Guerin, Marcelo E.

Publication type:

Article

The curvature of the Arrhenius plots predicted by conventional canonical transition-state theory in the absence of tunneling.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 5, p. 352, doi. 10.1007/s00214-003-0484-9

By:

Masgrau, Laura;
González-Lafont, Àngels;
Lluch, Josò M.

Publication type:

Article

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-09691-z

By:

Streltsov, Victor A.;
Luang, Sukanya;
Peisley, Alys;
Varghese, Joseph N.;
Cairns, James R. Ketudat;
Fort, Sebastien;
Hijnen, Marcel;
Tvaroška, Igor;
Ardá, Ana;
Jiménez-Barbero, Jesús;
Alfonso-Prieto, Mercedes;
Rovira, Carme;
Mendoza, Fernanda;
Tiessler-Sala, Laura;
Sánchez-Aparicio, José-Emilio;
Rodríguez-Guerra, Jaime;
Lluch, José M.;
Maréchal, Jean-Didier;
Masgrau, Laura;
Hrmova, Maria

Publication type:

Article

Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH3SH → CH3S + H2O as an example.

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 6, p. 701

By:

Laura Masgrau;
Àngels GonzálezLafont;
José M. Lluch

Publication type:

Article

Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling.

Published in:

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

By:

Masgrau, Laura;
González-Lafont, Àngels;
Lluch, José M.

Publication type:

Article

Natural mutations of the anti-Müllerian hormone type II receptor found in persistent Müllerian duct syndrome affect ligand binding, signal transduction and cellular transport.

Published in:

Human Molecular Genetics, 2009, v. 18, n. 16, p. 3002, doi. 10.1093/hmg/ddp238

By:

Belville, Corinne;
Maréchal, Jean-Didier;
Pennetier, Sophie;
Carmillo, Paul;
Masgrau, Laura;
Messika-Zeitoun, Liza;
Galey, Julie;
Machado, Gabrielle;
Treton, Dominique;
Gonzalès, Jacques;
Picard, Jean-Yves;
Josso, Nathalie;
Cate, Richard L.;
di Clemente, Nathalie

Publication type:

Article