A CFF 91-based Continuum Solvation Model: Solvation Free Energies of Small Organic Molecules and Conformations of the Alanine Dipeptide in Solution
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Baldridge K., J. Comput. Chem.
Rashin A., Biophysical Chemistry
Davis M. E., 1990, Chem. Rev., 10, 386
Tanford C. H., 1980, The Hydrophobic Effect
Schmidt A. B., Biophys Chem
1993.DISCOVER User Guide, 92121San Diego, CA: Biosym Technologies.
Bottcher C. J.F., 1973, Theory of Electric Polarization,, 2