Calculating pKa values for substituted phenols and hydration energies for other compounds with the first-order fuzzy-border continuum solvation model. - Ity Sharma; George A. Kaminski (J. Comput. Chem., 2012)

Using polarizable POSSIM force field and fuzzy-border continuum solvent model to calculate pKa shifts of protein residues. - Ity Sharma; George A. Kaminski (J. Comput. Chem., 2017)