Laura Masgrau - Dissemin

Papers authored by Laura Masgrau

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2015 Hansel Gómez, Fernanda Mendoza

, José M. Lluch, Laura Masgrau

QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism

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2014 Laura Masgrau

, Donald G. Truhlar

The Importance of Ensemble Averaging in Enzyme Kinetics

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José Ángel Martı́nez-González, Miguel González, Laura Masgrau

, Rodrigo Martı́nez

Theoretical Study of the Free Energy Surface and Kinetics of the Hepatitis C Virus NS3/NS4A Serine Protease Reaction with the NS5A/5B Substrate. Does the Generally Accepted Tetrahedral Intermediate Really Exist?

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Patricia Saura, Reynier Suardíaz, Laura Masgrau

, José M. Lluch, Àngels González-Lafont

Unraveling How Enzymes Can Use Bulky Residues To Drive Site-Selective C–H Activation: The Case of Mammalian Lipoxygenases Catalyzing Arachidonic Acid Oxidation

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Reynier Suardíaz, Laura Masgrau

, José M. Lluch, Àngels González‐Lafont

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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Reynier Suardiaz, Laura Masgrau

, Jose M. Lluc, José M. Lluch, Angels Gonzalez-Lafont

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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Reynier Suardíaz, José M. Lluch, Laura Masgrau

, A. Gonzalez-Lafont, Àngels González-Lafont

Regio- and stereospecificity of arachidonic acid oxygenation catalyzed by Leu597 mutants of rabbit 15-lipoxygenase. A quantum mechanics/molecular mechanics study

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Hansel Gómez, Raúl Rojas, Divya Patel, Lawrence A. Tabak, José M. Lluch, Laura Masgrau

A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2

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2013 Reynier Suardíaz, Laura Masgrau

, José M. Lluch, Angels González-Lafont

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

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Hansel Gómez, José M. Lluch, Laura Masgrau

Substrate-Assisted and Nucleophilically Assisted Catalysis in Bovine α1,3-Galactosyltransferase. Mechanistic Implications for Retaining Glycosyltransferases

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Reynier Suardiaz, Laura Masgrau

, Angels González-Lafont, José M. Lluch

An Insight into the Regiospecificity of Linoleic Acid Peroxidation Catalyzed by Mammalian 15-Lipoxygenases

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Almerinda Di Venere, Thomas Horn, Sabine Stehling, Giampiero Mei, Laura Masgrau

, Angels González-Lafont, Hartmut Kühn, Igor Ivanov

Role of Arg403 for thermostability and catalytic activity of rabbit 12/15-lipoxygenase

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J. A. Martinez, R. Martinez, M. P. Puyuelo, L. Masgrau

, M. Gonzalez,

QM/MM study of HCV NS3/NS4A protease with its main substrates: from the structure to the kinetics

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R. Suardiaz, L. Masgrau

, A. Gonzalez-Lafont, J. M. Lluch

On the regiospecificity of hydroperoxidation of fatty acids by mammalian lipoxygenases

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2012 Hansel Gómez, José M. Lluch, Laura Masgrau

Essential role of glutamate 317 in galactosyl transfer by α3GalT: a computational study

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Hansel Gómez, Iakov Polyak, Walter Thiel

, José M. Lluch, Laura Masgrau

Retaining Glycosyltransferase Mechanism Studied by QM/MM Methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C Transfers α-Galactose via an Oxocarbenium Ion-like Transition State

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Manuel Montenegro, Laura Masgrau

, Àngels González-Lafont, José M. Lluch, Mireia Garcia-Viloca

Influence of the enzyme phosphorylation state and the substrate on PKA enzyme dynamics

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2011 Igor Ivanov, Weifeng Shang, Lea Toledo, Laura Masgrau

, Dmitri I. Svergun, Sabine Stehling, Hansel Gómez, Almerinda Di Venere, Giampiero Mei, José M. Lluch, Ewa Skrzypczak-Jankun, Angels González-Lafont, Hartmut Kühn

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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Lea Toledo, Laura Masgrau

, José M. Lluch, Àngels González-Lafont

Substrate binding to mammalian 15-lipoxygenase

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2010 Lea Toledo, Laura Masgrau

, Jean-Didier Maréchal, José M Lluch, Àngels González-Lafont

Insights into the Mechanism of Binding of Arachidonic Acid to Mammalian 15-Lipoxygenases

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Papers authored by Laura Masgrau