SCP-ISM, or screened Coulomb potentials implicit solvent model, is a continuum approximation of solvent effects for use in computer simulations of biology, biological macromolecules, such as proteins and nucleic acids, usually within the framework of molecular dynamics. It is based on the classic theory of Intermolecular force, polar liquids, as developed by Peter Debye and corrected by Lars Onsager to incorporate reaction field effects. The model can be combined with Quantum chemistry, quantum chemical calculations to formally derive a continuum model of solvent effects suitable for computer simulations of small and large molecular systems.
External links
An essay on SCP-ISMCHARMM website
Molecular dynamics
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