publicaciones seleccionadas

• artículo académico

  • Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges.  JOURNAL OF CHEMICAL INFORMATION AND MODELING.  58(9):1779-1797. 2018
  • Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.  JOURNAL OF COMPUTATIONAL CHEMISTRY.  39(22):1728-1737. 2018