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 Citations (Scopus)

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

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Proteins
Molecular dynamics
Ligands

Keywords

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

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

Cite this

Protein structure similarity clustering : Dynamic treatment of PDB structures facilitates clustering. / Charette, Bradley D.; MacDonald, Richard G; Wetzel, Stefan; Berkowitz, David B; Waldmann, Herbert.

In: Angewandte Chemie - International Edition, Vol. 45, No. 46, 27.11.2006, p. 7766-7770.

Research output: Contribution to journalArticle

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