Traditional implicit methods for modeling electrostatics in biomolecules use a two-dielectric

Traditional implicit methods for modeling electrostatics in biomolecules use a two-dielectric approach: a biomolecule is assigned low dielectric constant while the water phase is considered NSC 23766 as a high dielectric constant medium. 2013 Apr 9; 9(4): 2126-2136.). Here we examine various aspects of the modeling of polar solvation energy in such inhomogeneous systems in… Continue reading Traditional implicit methods for modeling electrostatics in biomolecules use a two-dielectric