Variational approach to protein design and extraction of interaction potentials

Details Variational approach to protein design and extraction of interaction potentials Variational approach to protein design and extraction of interaction potentials

1998-04-06

arxiv.org/abs/cond-mat/9804054v1

Physics

Condensed Matter

Statistical Mechanics

5 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.81.2172

We present and discuss a novel approach to the direct and inverse protein folding problem. The proposed strategy is based on a variational approach that allows the simultaneous extraction of amino acid interactions and the low-temperature free energy of sequences of amino acids. The knowledge-based technique is simple and straightforward to implement even for realistic off-lattice proteins because it does not entail threading-like procedures. Its validity is assessed in the context of a lattice model by means of a variety of stringent checks.

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