• DocumentCode
    2370222
  • Title

    An efficient geometric build-up algorithm, for protein structure determination with, sparse exact distance data

  • Author

    Davis, Robert T. ; Ernst, Claus ; Wu, Di

  • Author_Institution
    Dept. of Math. & Comput. Sci., Western Kentucky Univ., Bowling Green, KY, USA
  • fYear
    2009
  • fDate
    1-4 Nov. 2009
  • Firstpage
    173
  • Lastpage
    180
  • Abstract
    The paper introduces an efficient algorithm to build up a protein structure from atomic distance data. An updated geometric build-up algorithm (UGB) has been developed recently that controls numerical errors and is efficient in protein structure determination for cases where only sparse exact distance data is available. In this paper, this algorithm is improved and provides a more effective way of determining a protein structure with sparse exact distance data. We will show that the numerical errors produced by the new algorithm are smaller when compared with the errors of the UGB algorithm and that the new algorithm has a significantly smaller runtime than the UGB algorithm.
  • Keywords
    molecular biophysics; proteins; atomic distance data; protein structure determination; sparse exact distance data; updated geometric build-up algorithm; Amino acids; Bioinformatics; Bonding; Computer science; Geometry; Iterative algorithms; Mathematics; Nuclear magnetic resonance; Proteins; Upper bound;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Bioinformatics and Biomedicine Workshop, 2009. BIBMW 2009. IEEE International Conference on
  • Conference_Location
    Washington, DC
  • Print_ISBN
    978-1-4244-5121-0
  • Type

    conf

  • DOI
    10.1109/BIBMW.2009.5332122
  • Filename
    5332122