View source for Screened Coulomb potentials implicit solvent model

{{Short description | Continuum solvent model for biomolecular simulations}}
'''SCP-ISM''', or '''screened Coulomb potentials implicit solvent model''', is a [[continuum approximation]] of [[solvent]] effects for use in [[computer simulations]] of [[biology|biological]] [[macromolecule]]s, such as [[protein]]s and [[nucleic acid]]s, usually within the framework of [[molecular dynamics]].<ref name=":0">{{Cite journal |last=Hassan |first=Sergio A. |last2=Guarnieri |first2=Frank |last3=Mehler |first3=Ernest L. |date=2000-07-01 |title=A General Treatment of Solvent Effects Based on Screened Coulomb Potentials |url=https://pubs.acs.org/doi/10.1021/jp993895e |journal=The Journal of Physical Chemistry B |language=en |volume=104 |issue=27 |pages=6478–6489 |doi=10.1021/jp993895e |issn=1520-6106|url-access=subscription }}</ref> It is based on the classic theory of [[Intermolecular force|polar liquid]]s, as developed by [[Peter Debye]] and corrected by [[Lars Onsager]] to incorporate reaction field effects.<ref name=":0" /> 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. The model is included in the [[CHARMM]] molecular mechanics code.<ref>{{Cite web |title=scpism (c48b2) {{!}} CHARMM |url=https://academiccharmm.org/documentation/version/c48b2/scpism |access-date=2025-03-03 |website=academiccharmm.org}}</ref>

== References ==
{{Reflist}}

== External links ==
* [https://web.archive.org/web/20041023103224/http://cmm.cit.nih.gov/~mago/scpism-qualitative.html An essay on SCP-ISM]
* [http://www.charmm.org CHARMM website]

[[Category:Molecular dynamics]]

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