Phys. Rev. Lett. 81, 2172-2175 (1998)
Variational Approach to Protein Design and Extraction of Interaction
Potentials
Flavio Seno, Cristian Micheletti, Amos Maritan and Jayanth R. Banavar
Link to online article.
ABSTRACT
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 threadinglike procedures. Its validity is
assessed in the context of a lattice model by means of a variety of
stringent checks.