Skip navigation
Skip navigation

Free energy approximations in simple lattice proteins

Reith, Dirk; Mueller-Plathe, Florian; Torda, Andrew E.; Huber, Thomas


This work addresses the question of whether it is possible to define simple pair-wise interaction terms to approximate free energies of proteins or polymers. Rather than ask how reliable a potential of mean force is, one can ask how reliable it could possibly be. In a two-dimensional, infinite lattice model system one can calculate exact free energies by exhaustive enumeration. A series of approximations were fitted to exact results to assess the feasibility and utility of pair-wise free...[Show more]

CollectionsANU Research Publications
Date published: 2001-03-15
Type: Journal article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1350575


File Description SizeFormat Image
01_Reith_Free_energy_approximations_in_2001.pdf432.85 kBAdobe PDFThumbnail

Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  19 May 2020/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator