Multiple Structural Alignment and Core Detection by Geometric Hashing

Nathaniel Leibowitz, Zipora Y. Fligelman, Ruth Nussinov, Haim J. Wolfson

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

33 Scopus citations

Abstract

A Multiple Structural Alignment algorithm is presented. The algorithm accepts an ensemble of protein structures and finds the largest substructure (core) of Cα atoms whose geometric configuration appear in all the molecules of the ensemble (core). Both the detection of this core and the resulting structural alignment are done simultaneously. Other large enough multistructural superimpositions are detected as well. Our method is based on the Geometric Hashing paradigm and a superimposition clustering technique which represents superimpositions by sets of matching atoms. The algorithm proved to be efficient on real data in a series of experiments. The same method can be applied to any ensemble of molecules (not necessarily proteins) since our basic technique is sequence order independent.

Original languageEnglish
Title of host publicationProceedings of the 7th International Conference on Intelligent Systems for Molecular Biology, ISMB 1999
PublisherAAAI press
Pages169-177
Number of pages9
ISBN (Electronic)1577350839, 9781577350835
StatePublished - 1 Jan 1999
Externally publishedYes
Event7th International Conference on Intelligent Systems for Molecular Biology, ISMB 1999 - Heidelberg, Germany
Duration: 6 Aug 199910 Aug 1999

Publication series

NameProceedings of the 7th International Conference on Intelligent Systems for Molecular Biology, ISMB 1999

Conference

Conference7th International Conference on Intelligent Systems for Molecular Biology, ISMB 1999
Country/TerritoryGermany
CityHeidelberg
Period6/08/9910/08/99

Keywords

  • Geometric Hashing
  • Multiple structural alignment
  • invariants
  • structural core
  • transformation clustering

ASJC Scopus subject areas

  • General Biochemistry, Genetics and Molecular Biology
  • Artificial Intelligence
  • Information Systems

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