Publicaciones en colaboración con investigadores/as de Centro de Investigación Cooperativa en Nanociencias (8)

2022

  1. Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 42, pp. 25918-25929

2021

  1. Elucidating the intercalation of methylated 1,10-phenanthroline with DNA: The important weight of the CH/H interactions and the selectivity of CH/π and CH/n interactions

    RSC Advances, Vol. 11, Núm. 3, pp. 1553-1563

  2. From groove binding to intercalation: Unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 47, pp. 26680-26695

  3. Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2Cl2(DMF)2

    Inorganic Chemistry, Vol. 60, Núm. 15, pp. 11177-11191

  4. New insights on the interaction of phenanthroline based ligands and metal complexes and polyoxometalates with duplex dna and g-quadruplexes

    Molecules, Vol. 26, Núm. 16

  5. Probing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis**

    Chemistry - A European Journal, Vol. 27, Núm. 35, pp. 8977-8984

2020

  1. Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands

    Inorganic Chemistry, Vol. 59, Núm. 17, pp. 12711-12721

2019

  1. Unraveling the Modulation of the Activity in Drugs Based on Methylated Phenanthroline When Intercalating between DNA Base Pairs

    Journal of Chemical Information and Modeling, Vol. 59, Núm. 9, pp. 3989-3995