Protein structure similarity clustering: Dynamic treatment of PDB structures facilitates clustering

Bradley D. Charette, Richard G. MacDonald, Stefan Wetzel, David B. Berkowitz, Herbert Waldmann

Research output: Contribution to journalArticle

15 Scopus citations

Abstract

In the family: The introduction of ligand docking, molecular dynamics, and the VAST algorithm into protein structure similarity clustering greatly streamlines the process and opens up otherwise unseen connections to new protein-cluster partners. VAST = vector alignment search tool. (Figure Presented).

Original languageEnglish (US)
Pages (from-to)7766-7770
Number of pages5
JournalAngewandte Chemie - International Edition
Volume45
Issue number46
DOIs
StatePublished - Nov 27 2006

Keywords

  • Biological information
  • Combinatorial chemistry
  • Molecular dynamics
  • Protein structures
  • Target selection

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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