Publikationen in Zusammenarbeit mit Forschern von Universidade de Lisboa (5)

2022

  1. Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 19, pp. 11510-11519

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

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

  2. 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

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