FastContact
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FastContact is an algorithm for the rapid estimate of contact and binding free energies for protein-protein complex structures. It is based on a statistically determined desolvation contact potential and Coulomb electrostatics with a distance-dependent dielectric constant. The application also reports residue contact free energies that rapidly highlight the hotspots of the interaction.
The programme was written in Fortran 77 by Carlos J. Camacho and Chao Zhang at the Department of Computational Biology, University of Pittsburgh, PA.[1]
[edit] References
- ^ Camacho CJ and Zhang C (2005). FastContact: rapid estimate of contact and binding free energies. Bioinformatics, 21(10):2534-6.
Further reading
- Camacho CJ, Ma H, and Champ PC (2006). Scoring a diverse set of high-quality docked conformations: A metascore based on electrostatic and desolvation interactions. Proteins, 63(4):868-77.
[edit] External links
- FastContact binaries — binaries are freely available for download (with documentation).
- FastContact Server — setup by P. Christoph Champ in July 2005.
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