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dc.contributor.authorKolinski, Andrzej
dc.contributor.authorMilik, Mariusz
dc.contributor.authorRycombel, Jakub
dc.contributor.authorSkolnick, Jeffrey
dc.date.accessioned2009-02-19T14:07:10Z
dc.date.available2009-02-19T14:07:10Z
dc.date.issued1995-09-08
dc.identifier.citationJournal of Chemical Physics, 1995:103: 4312-4323en
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/1853/27082
dc.description©1995 American Institute of Physicsen
dc.descriptionThe electronic version of this article is the complete one and can be found online at: http://link.aip.org/link/?JCPSA6/103/4312/1
dc.descriptionDOI:10.1063/1.470670
dc.description.abstractA simple model of short range interactions is proposed for a reduced lattice representation of polypeptide conformation. The potential is derived on the basis of statistical regularities seen in the known crystal structures of globular proteins. This potential accounts for the generic stiffness of polypeptides, the correlation between peptide bond plates, and the sequence dependent correlations between consecutive segments of the C-trace. This model is used for simulation of the equilibrium and dynamic properties of polypeptides in the denatured state. It is shown that the proposed factorization of the local conformational propensities reproduces secondary structure tendencies encoded in the protein sequence. Possible applications for modeling of protein folding are briefly discussed.en
dc.language.isoen_USen
dc.publisherGeorgia Institute of Technologyen
dc.subjectConformational changesen
dc.subjectIntermolecular forcesen
dc.subjectMolecular modelsen
dc.subjectPolypeptidesen
dc.subjectProtein structureen
dc.subjectAmino acidsen
dc.titleA reduced model of short range interactions in polypeptide chainsen
dc.typeText
dc.contributor.corporatenameUniwersytet Warszawski. Wydział Chemii
dc.contributor.corporatenameScripps Research Institute. Dept. of Molecular Biology
dc.publisher.originalAmerican Institute of Physics
dc.type.genreArticle


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