title: A simple method for finding a protein's ligand-binding pockets.
abstract: BACKGROUND
  This paper provides a simple and rapid method for a protein-clustering strategy. The basic idea implemented here is to use computational geometry methods to predict and characterize ligand-binding pockets of a given protein structure. In addition to geometrical characteristics of the protein structure, we consider some simple biochemical properties that help recognize the best candidates for pockets in a protein's active site.
  
  
  RESULTS
  Our results are shown to produce good agreement with known empirical results.
  
  
  CONCLUSIONS
  The method presented in this paper is a low-cost rapid computational method that could be used to classify proteins and other biomolecules, and furthermore could be useful in reducing the cost and time of drug discovery.
authors.forename: Seyed Majid
authors.initials: SM
authors.lastname: Saberi Fathi
authors.affiliation: Department of Physics, University of Alberta, Edmonton, Alberta, Canada. jackt@ualberta.ca.
authors.forename: Jack A
authors.initials: JA
authors.lastname: Tuszynski
mesh_terms: D000465:Algorithms; D020134:Catalytic Domain; D019295:Computational Biology / Q000191:economics / Q000379:methods*; D008958:Models, Molecular; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins