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Proc Natl Acad Sci U S A. 1994 May 24;91(11):5027-9.

An algorithm to generate low-resolution protein tertiary structures from knowledge of secondary structure.

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  • 1Department of Chemistry, Columbia University, New York, NY 10027.

Abstract

An algorithm is described to assemble the three-dimensional fold of a protein starting from its secondary structure. A reduced representation of the polypeptide chain is used together with a crude potential based on pair hydrophobicities. The method is shown to be successful in locating the native topology for two 4-alpha-helix bundles, myohemerythrin and cytochrome b-562.

PMID:
8197177
[PubMed - indexed for MEDLINE]
PMCID:
PMC43923
Free PMC Article
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