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  • Title: The dependence of electrostatic solvation energy on dielectric constants in Poisson-Boltzmann calculations.
    Author: Tjong H, Zhou HX.
    Journal: J Chem Phys; 2006 Nov 28; 125(20):206101. PubMed ID: 17144745.
    Abstract:
    The Poisson-Boltzmann equation gives the electrostatic free energy of a solute molecule (with dielectric constant epsilon(l)) solvated in a continuum solvent (with dielectric constant epsilon(s)). Here a simple formula is presented that accurately predicts the electrostatic free energy for all combinations of epsilon(l) and epsilon(s) from the calculation on a single set of epsilon(l) and epsilon(s) values.
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