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Free energy approximations in simple lattice proteins

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

Description

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
URI: http://hdl.handle.net/1885/15770
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1350575

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