Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges. - Alejandro Lara; Maximiliano Riquelme; Esteban Vöhringer-Martinez (J. Comput. Chem., 2018)

Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges. - Maximiliano Riquelme; Alejandro Lara; David L. Mobley; Toon Verstraelen; Adelio R. Matamala; Esteban Vöhringer-Martinez (J. Chem. Inf. Model., 2018)

SAMPL6 Octanol-water partition coefficients from alchemical free energy calculations with MBIS atomic charges. - Maximiliano Riquelme; Esteban Vöhringer-Martinez (J. Comput. Aided Mol. Des., 2020)