Advertisement

Implicit Continuum Solvent Models

  • Philipp O. J. SchererEmail author
  • Sighart F. Fischer
Chapter
Part of the Biological and Medical Physics, Biomedical Engineering book series (BIOMEDICAL)

Abstract

Since an explicit treatment of all solvent atoms and ions is not possible in many cases, the effect of the solvent on the protein has to be approximated by implicit models which replace the large number of dynamic solvent modes by a continuous medium and treat the solvent as a dielectric continuum. We discuss the Born model of a point charge in the center of a cavity and its extension for a general charge distribution. The solvation energy of a dipole is evaluated, together with its time dependence for the case of a simple Debye solvent.

Copyright information

© Springer-Verlag GmbH Germany 2017

Authors and Affiliations

  1. 1.Physikdepartment T38Technische Universität MünchenGarchingGermany

Personalised recommendations