Cell-Dock

Cell-Dock is a docking algorithm used in structural bioinformatics that applies fast Fourier transform (FFT) approaches and has been adapted to the Cell BE processor. The tool is optimized to reduce the computational cost of large-scale experiments or protein flexibility treatments, and achieves maximum speedups of over 200× compared to FTDock. The algorithm is available for download under the GNU General Public License version 2, and the developers can be contacted for more information.

Topic

Molecular modelling

Detail

  • Operation: Protein docking

  • Software interface: Command-line user interface

  • Language: C

  • License: -

  • Cost: Free

  • Version name: -

  • Credit: the Spanish Ministry of Science and Innovation, Generalitat de Catalunya, the European Commission in the context of the EnCORE project, the HiPEAC2 Network of Excellence, the MareIncognito project under the BSC-IBM collaboration.

  • Input: -

  • Output: -

  • Contact: Daniel Jiménez-González djimenez@ac.upc.edu, Juan Fernández-Recio juanf@bsc.es

  • Collection: -

  • Maturity: Legacy

Publications

  • Cell-Dock: high-performance protein-protein docking.
  • Pons C, et al. Cell-Dock: high-performance protein-protein docking. Cell-Dock: high-performance protein-protein docking. 2012; 28:2394-6. doi: 10.1093/bioinformatics/bts454
  • https://doi.org/10.1093/bioinformatics/bts454
  • PMID: 22815362
  • PMC: -

Download and documentation

    Currently not available or not maintained.

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