Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 2. Tests with simple spherical systems

The research presents various simple physics-based analytical formulas consisting of electrostatic, polarization and cavity terms to explain the potentials of mean force for the spherical particles of amino acid side chains interacting in water. The results show that the newly developed Gaussian-overlap-based expression for the cavity term fits the potentials of mean force (PMFs) perfectly and all the parameters are reasonable.