Publicaciones en colaboración con investigadores/as de Universitat Autònoma de Barcelona (21)

2022

  1. Membrane rigidity regulates E. coli proliferation rates

    Scientific Reports, Vol. 12, Núm. 1

2021

  1. Near-Field Imaging of Magnetic Complex Mode Volume

    ACS Photonics, Vol. 8, Núm. 5, pp. 1258-1263

2020

  1. Surfactant-Assisted Symmetry Breaking in Colloidal Gold Nanocrystal Growth

    ChemNanoMat, Vol. 6, Núm. 5, pp. 698-707

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. Simple method to relate experimental pore size distribution and discharge capacity in cathodes for Li/O2 batteries

    Journal of Physical Chemistry C, Vol. 118, Núm. 36, pp. 20772-20783

  4. 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. A geometrical parametrization of C1′-C5′ RNA ribose chemical shifts calculated by density functional theory

    Journal of Chemical Physics, Vol. 139, Núm. 3

  2. 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

  3. Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH

    Magnetic Resonance in Chemistry, Vol. 51, Núm. 12, pp. 775-787

  4. Conformational and NMR study of some furan derivatives by DFT methods

    Journal of Molecular Modeling

  5. Effects of a delocalizable cation on the headgroup of gemini lipids on the lipoplex-type nanoaggregates directly formed from plasmid DNA

    Biomacromolecules, Vol. 14, Núm. 11, pp. 3951-3963

  6. Effects of architecture on the electrochemistry of binder-free inverse opal carbons as Li-air cathodes in an ionic liquid-based electrolyte

    Journal of Materials Chemistry A, Vol. 1, Núm. 45, pp. 14270-14279

  7. 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

2012

  1. How does the spacer length of cationic gemini lipids influence the lipoplex formation with plasmid DNA? physicochemical and biochemical characterizations and their relevance in gene therapy

    Biomacromolecules, Vol. 13, Núm. 12, pp. 3926-3937

  2. Ribbon-type and cluster-type lipoplexes constituted by a chiral lysine based cationic gemini lipid and plasmid DNA

    Soft Matter, Vol. 8, Núm. 28, pp. 7368-7380

2011

  1. Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 22

  2. Self-assembled nanometer-scale magnetic networks on surfaces: Fundamental interactions and functional properties

    Advanced Functional Materials, Vol. 21, Núm. 7, pp. 1212-1228