2022

1. Influence of the Nonprotein Amino Acid Mimosine in Peptide Conformational Propensities from Novel Amber Force Field Parameters

   Journal of Physical Chemistry B, Vol. 126, Núm. 16, pp. 2959-2967

2. 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

3. 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