Publications by the researcher in collaboration with Àngels Gonzàlez Lafont (7)

2017

  1. 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

    ACS Catalysis, Vol. 7, Núm. 7, pp. 4854-4866

2016

  1. 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

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 4, pp. 2079-2090

2014

  1. Introducing mutations to modify the C13/C9 ratio in linoleic acid oxygenations catalyzed by rabbit 15-lipoxygenase: A QM/MM and MD study

    ChemPhysChem, Vol. 15, Núm. 18, pp. 4049-4054

  2. Regio- and stereospecificity in the oxygenation of arachidonic acid catalyzed by leu597 mutants of rabbit 15-Lipoxygenase: A QM/MM Study

    ChemPhysChem, Vol. 15, Núm. 11, pp. 2303-2310

  3. Unraveling how enzymes can use bulky residues to drive site-selective c-h activation: The case of mammalian lipoxygenases catalyzing arachidonic acid oxidation

    ACS Catalysis, Vol. 4, Núm. 12, pp. 4351-4363

2013

  1. An insight into the regiospecificity of linoleic acid peroxidation catalyzed by mammalian 15-lipoxygenases

    Journal of Physical Chemistry B, Vol. 117, Núm. 14, pp. 3747-3754

  2. On the regio- and stereospecificity of arachidonic acid peroxidation catalyzed by mammalian 15-lypoxygenases: A combined molecular dynamics and QM/MM study

    ChemPhysChem, Vol. 14, Núm. 16, pp. 3777-3787