Publications by the researcher in collaboration with Xabier López Pestaña (13)

2023

  1. One- and Two-Electron Reductions in MiniSOG and their Implication in Catalysis**

    ChemPhysChem, Vol. 24, Núm. 15

2022

  1. Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 9, pp. 5323-5329

2021

  1. Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 19, pp. 4504-4508

2020

  1. Flavin bioorthogonal photocatalysis toward platinum substrates

    ACS Catalysis, Vol. 10, Núm. 1, pp. 187-196

2017

  1. Riboflavin as a bioorthogonal photocatalyst for the activation of a PtIV prodrug

    Chemical Science, Vol. 8, Núm. 6, pp. 4619-4625

2014

  1. Aluminium in biological environments: A computational approach

    Computational and Structural Biotechnology Journal

  2. Mapping the affinity of aluminum(iii) for biophosphates: Interaction mode and binding affinity in 1: 1 complexes

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 37, pp. 20107-20119

2011

  1. A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH

    Journal of Inorganic Biochemistry, Vol. 105, Núm. 11, pp. 1446-1456

2010

  1. Erratum: Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer (J. Chem. Phys. (2008) 128 (194315)

    Journal of Chemical Physics

2008

  1. Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer

    Journal of Chemical Physics, Vol. 128, Núm. 19

2007

  1. A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities

    Journal of Inorganic Biochemistry, Vol. 101, Núm. 9 SPEC. ISS., pp. 1192-1200

  2. Protein side chains facilitate Mg/Al exchange in model protein binding sites

    ChemPhysChem, Vol. 8, Núm. 14, pp. 2119-2124

2006

  1. A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: Thermodynamics of the complex formation and metal exchange reactions

    Journal of Inorganic Biochemistry, Vol. 100, Núm. 3, pp. 374-384