OPLS force field

From SklogWiki
Revision as of 14:19, 15 October 2007 by Nice and Tidy (talk | contribs)
Jump to: navigation, search
Simeq0.png This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page.

The optimized potentials for liquid simulations (OPLS) force-filed was developed for the simulation of proteins and other organic liquids.


  1. William L. Jorgensen and Julian Tirado-Rives "The OPLS (optimized potentials for liquid simulations) potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin", Journal of the American Chemical Society 110 pp. 1657 - 1666 (1988)
  2. William L. Jorgensen, David S. Maxwell, and Julian Tirado-Rives "Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids", Journal of the American Chemical Society 118 pp. 11225 - 11236 (1996)