Free energy approximations in simple lattice proteins
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Reith, Dirk; Mueller-Plathe, Florian; Torda, Andrew E.; Huber, Thomas
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]
Collections | ANU Research Publications |
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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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01_Reith_Free_energy_approximations_in_2001.pdf | 432.85 kB | Adobe PDF |
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