ClusPro

ClusPro is a web-based program for protein docking that uses docking algorithms to evaluate billions of putative complexes, retaining a preset number with favorable surface complementarities. The program applies a filtering method to this set of structures, selecting those with good electrostatic and desolvation free energies for further clustering. The output is a short list of putative complexes ranked according to their clustering properties, which is automatically sent back to the user via email. Users can upload coordinate files of two protein structures or enter PDB codes.

Topic

Molecular modelling;Protein structure analysis;Proteins;Protein properties;Protein folds and structural domains

Detail

  • Operation: Protein property comparison;Clustering;Protein property calculation;Molecular docking;Protein-ligand docking

  • Software interface: Web user interface

  • Language: Perl

  • License: -

  • Cost: Free for noncommercial purposes.

  • Version name: 2.0

  • Credit: The National Institute of Health, the National Institute of Environmental Health.

  • Input: -

  • Output: -

  • Contact: Stephen R. Comeau ccamacho@bu.edu

  • Collection: -

  • Maturity: -

Publications

  • ClusPro: a fully automated algorithm for protein-protein docking.
  • Comeau SR, et al. ClusPro: a fully automated algorithm for protein-protein docking. ClusPro: a fully automated algorithm for protein-protein docking. 2004; 32:W96-9. doi: 10.1093/nar/gkh354
  • https://doi.org/10.1093/nar/gkh354
  • PMID: 15215358
  • PMC: PMC441492

Download and documentation

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