Fractional description of free energies of solvation

A new and rigorous method for the fractional description of solvation and t ransfer free energies is presented. The method is based on the use of the M iertus-Scrocco-Tomasi self-consistent reaction field method (MST-SCRF), and allows for a rigorous partition of the total solvation free energy into su rface elements. The method gives a complete picture of the hydrophobicity/h ydrophilicity of molecules. Present results allow us to expect that the met hod might provide useful information in drug design and molecular modeling studies.