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