Screened Coulomb Potentials Implicit Solvent Model
SCP-ISM, or screened Coulomb potentials implicit solvent model, is a continuum approximation of solvent effects for use in computer simulations of biological macromolecules, such as proteins and nucleic acids, usually within the framework of molecular dynamics. It is based on the classic theory of polar liquids, as developed by Peter Debye and corrected by Lars Onsager to incorporate reaction field effects. The model can be combined with quantum chemical calculations to formally derive a continuum model of solvent effects suitable for computer simulations of small and large molecular systems.
External links
This article is copied from an article on Wikipedia® - the free encyclopedia created and edited by its online user community. The text was not checked or edited by anyone on our staff. Although the vast majority of Wikipedia® encyclopedia articles provide accurate and timely information, please do not assume the accuracy of any particular article. This article is distributed under the terms of GNU Free Documentation License.