Proc Natl Acad Sci U S A. 1992 Jun 1;89(11):4918-22.

Optimal protein-folding codes from spin-glass theory.

Goldstein RA, Luthey-Schulten ZA, Wolynes PG.

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School of Chemical Sciences, University of Illinois, Urbana 61801.

Abstract

Protein-folding codes embodied in sequence-dependent energy functions can be optimized using spin-glass theory. Optimal folding codes for associative-memory Hamiltonians based on aligned sequences are deduced. A screening method based on these codes correctly recognizes protein structures in the "twilight zone" of sequence identity in the overwhelming majority of cases. Simulated annealing for the optimally encoded Hamiltonian generally leads to qualitatively correct structures.

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PMCID:: PMC49199

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