Laura Masgrau - Dissemin

All papers authored by Laura Masgrau

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2021 Laura Masgrau

, Fernanda Mendoza

Computational Modelling of Carbohydrate Processing Enzymes Reactions

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Sonia Romero-Téllez, Alejandro Cruz

, Laura Masgrau

, Àngels González-Lafont

, José M. Lluch

Accounting for the instantaneous disorder in the enzyme–substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction

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2020 Patrícia T. Borges, Vânia Brissos, Guillem Hernandez, Laura Masgrau

, Maria Fátima Lucas, Emanuele Monza, Carlos Frazão, Tiago N. Cordeiro, Lígia O. Martins

Methionine-Rich Loop of Multicopper Oxidase McoA Follows Open-to-Close Transitions with a Role in Enzyme Catalysis

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2019 Elena M. Sánchez-Fernández, Ma Isabel García-Moreno, Ana I. Arroba, Manuel Aguilar-Diosdado

, José M. Padrón

, Raquel García-Hernández, Francisco Gamarro, Santos Fustero, José-Emilio Sánchez-Aparicio

, Laura Masgrau

, José Manuel García Fernández, Carmen Ortiz Mellet

Synthesis of polyfluoroalkyl sp2-iminosugar glycolipids and evaluation of their immunomodulatory properties towards anti-tumor, anti-leishmanial and anti-inflammatory therapies

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Samuel Andrew Malone

, Georgios E. Papadakis, Andrea Messina, Nour El Houda Mimouni, Sara Trova, Monica Imbernon, Cecile Allet, Irene Cimino, James Acierno, Daniele Cassatella, Cheng Xu, Richard Quinton, Gabor Szinnai, Pascal Pigny, Lur Alonso-Cotchico and 5 other authors

Defective AMH signaling disrupts GnRH neuron development and function and contributes to hypogonadotropic hypogonadism

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Victor A. Streltsov, Sukanya Luang, Alys Peisley

, Joseph N. Varghese, James R. Ketudat Cairns

, Sebastien Fort

, Marcel Hijnen, Igor Tvaroška, Ana Ardá, Jesús Jiménez-Barbero, Mercedes Alfonso-Prieto

, Carme Rovira

, Fernanda Mendoza

, Laura Tiessler-Sala, José-Emilio Sánchez-Aparicio

and 5 other authors

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

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Sonia Romero-Téllez, José M. Lluch, Àngels González-Lafont, Laura Masgrau

Comparing Hydrolysis and Transglycosylation Reactions Catalyzed by Thermus thermophilus β-Glycosidase. A Combined MD and QM/MM Study

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2018 Elena Alcalde-Estévez, Ana I. Arroba, Elena M. Sánchez-Fernández, Carmen Ortiz Mellet, Jose M. García Fernández, Laura Masgrau

, Ángela M. Valverde

The sp 2 -iminosugar glycolipid 1-dodecylsulfonyl-5 N ,6 O -oxomethylidenenojirimycin (DSO 2 -ONJ) as selective anti-inflammatory agent by modulation of hemeoxygenase-1 in Bv.2 microglial cells and retinal explants

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2017 Àngels González-Lafont, Laura Masgrau

, José M. Lluch

Computational Enzymology: Modelling Biological Catalysts

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Patricia Saura, Reynier Suardíaz

, Laura Masgrau

, Àngels González-Lafont

, Edina Rosta, José M. Lluch

Understanding the Molecular Mechanism of the Ala-versus-Gly Concept Controlling the Product Specificity in Reactions Catalyzed by Lipoxygenases: A Combined Molecular Dynamics and QM/MM Study of Coral 8R-Lipoxygenase

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Fernanda Mendoza

, José M. Lluch

, Laura Masgrau

Computational insights into active site shaping for substrate specificity and reaction regioselectivity in the EXTL2 retaining glycosyltransferase

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2016 Patricia Saura, Laura Masgrau

, Dagmar Heydeck, Hartmut Kühn

, José M. Lluch

, Àngels González-Lafont

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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Susan Adel, Felix Karst, Àngels González-Lafont, Mária Pekárová, Patricia Saura, Laura Masgrau

, José M. Lluch, Sabine Stehling, Thomas Horn, Hartmut Kuhn, Dagmar Heydeck

Evolutionary alteration of ALOX15 specificity optimizes the biosynthesis of antiinflammatory and proresolving lipoxins

Download from www.pnas.org

Fernanda Mendoza

, Hansel Gómez, José M. Lluch, Laura Masgrau

α1,4-N-Acetylhexosaminyltransferase EXTL2: the missing link for understanding glycosidic bond biosynthesis with retention of configuration.

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Reynier Suardiaz, Pablo Garcia Jambrina, Pablo G. Jambrina, Laura Masgrau

, Àngels González-Lafont, Edina Rosta, José M. Lluch

Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation.

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Patricia Saura, Jean-Didier Maréchal, Laura Masgrau

, José M. Lluch, Àngels González-Lafont

Computational insight into the catalytic implication of head/tail-first orientation of arachidonic acid in human 5-lipoxygenase: consequences for the positional specificity of oxygenation

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2015 Jordi Soler, Patricia Saura, Diego García-López, Laura Masgrau

, José M. Lluch, Àngels González-Lafont

How Can Linoleic Acid Be the Preferential Substrate of the Enzyme 15-Lipoxygenase-1? A QM/MM Approach

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David Albesa-Jové

, Fernanda Mendoza

, Ane Rodrigo-Unzueta, Fernando Gomollón-Bel, Javier O. Cifuente, Cifuente Jo, Saioa Urresti, Natalia Comino, Hansel Gómez, Hansel Gomez, Javier Romero-García, Lluch Jm, José M. Lluch, Enea Sancho-Vaello, Xevi Biarnés and 5 other authors

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

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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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All papers authored by Laura Masgrau