Continuous representations of proteins

Construction of coordinate models from curvature profiles

Andrew Hausrath, A. Goriely

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

A representation of proteins based on the geometry of space curves is described. This representation enables the application of continuum methods to the analysis of macromolecular structure and form that cannot be applied to the more familiar discrete atomic coordinate models. It is shown that the continuous modeling method defines the geometry of the protein fold very efficiently. An analytical solution for curve construction is employed from which both continuous and coordinate models can be obtained. The method is applied to five representative test proteins which are used to assess the accuracy and efficiency of the modeling procedure.

Original languageEnglish (US)
Pages (from-to)267-281
Number of pages15
JournalJournal of Structural Biology
Volume158
Issue number3
DOIs
StatePublished - Jun 2007

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Proteins

Keywords

  • Curvature
  • Polyhelix
  • Protein folds
  • Protein modeling
  • Torsion

ASJC Scopus subject areas

  • Structural Biology

Cite this

Continuous representations of proteins : Construction of coordinate models from curvature profiles. / Hausrath, Andrew; Goriely, A.

In: Journal of Structural Biology, Vol. 158, No. 3, 06.2007, p. 267-281.

Research output: Contribution to journalArticle

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