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. 1992 Oct 1;89(19):9029-33.
doi: 10.1073/pnas.89.19.9029.

Protein tertiary structure recognition using optimized Hamiltonians with local interactions

R A Goldstein  1 , Z A Luthey-Schulten, P G Wolynes
Affiliations

Protein tertiary structure recognition using optimized Hamiltonians with local interactions

R A Goldstein et al. Proc Natl Acad Sci U S A. .

Abstract

Protein folding codes embodying local interactions including surface and secondary structure propensities and residue-residue contacts are optimized for a set of training proteins by using spin-glass theory. A screening method based on these codes correctly matches the structure of a set of test proteins with proteins of similar topology with 100% accuracy, even with limited sequence similarity between the test proteins and the structural homologs and the absence of any structurally similar proteins in the training set.

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