Computing a new family of shape descriptors for protein structures

Peter Røgen, Robert Sinclair

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    The large-scale 3D structure of a protein can be represented by the polygonal curve through the carbon a atoms of the protein backbone. We introduce an algorithm for computing the average number of times that a given configuration of crossings on such polygonal curves is seen, the average being taken over all directions in space. Hereby, we introduce a new family of global geometric measures of protein structures, which we compare with the so-called generalized Gauss integrals.
    Original languageEnglish
    JournalJournal of chemical information and computer sciences
    Volume43
    Issue number6
    Pages (from-to)1740-1747
    ISSN0095-2338
    Publication statusPublished - 2003

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