Difference between revisions of "FastContact"
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'''FastContact''' is a rapid estimate of contact and binding free energies for protein-protein complex structures. The programme was written in Fortran by Carlos J. Camacho and Chao Zhang at the Department of Computational Biology, University of Pittsburgh Pittsburgh, PA. | '''FastContact''' is a rapid estimate of contact and binding free energies for protein-protein complex structures. The programme was written in Fortran by Carlos J. Camacho and Chao Zhang at the Department of Computational Biology, University of Pittsburgh Pittsburgh, PA. | ||
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| + | The abstract to the primary paper written on this programme describes it as follows: | ||
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| + | Interaction free energies are crucial for analyzing binding propensities in proteins. Although the problem of computing binding free energies remains open, approximate estimates have become very useful for filtering potential binding complexes. We report on the implementation of a fast computational estimate of the binding free energy based on a statistically determined desolvation contact potential and Coulomb electrostatics with a distance-dependent dielectric constant, and validated in the [[Critical Assessment of PRotein Interactions]] experiment. The application also reports residue contact free energies that rapidly highlight the hotspots of the interaction (Camacho, 2005). | ||
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A web server was setup by [[Christoph Champ]] in July 2005 for running this programme. | A web server was setup by [[Christoph Champ]] in July 2005 for running this programme. | ||
Revision as of 22:58, 14 July 2006
FastContact is a rapid estimate of contact and binding free energies for protein-protein complex structures. The programme was written in Fortran by Carlos J. Camacho and Chao Zhang at the Department of Computational Biology, University of Pittsburgh Pittsburgh, PA.
The abstract to the primary paper written on this programme describes it as follows:
Interaction free energies are crucial for analyzing binding propensities in proteins. Although the problem of computing binding free energies remains open, approximate estimates have become very useful for filtering potential binding complexes. We report on the implementation of a fast computational estimate of the binding free energy based on a statistically determined desolvation contact potential and Coulomb electrostatics with a distance-dependent dielectric constant, and validated in the Critical Assessment of PRotein Interactions experiment. The application also reports residue contact free energies that rapidly highlight the hotspots of the interaction (Camacho, 2005).
A web server was setup by Christoph Champ in July 2005 for running this programme.
The executable and full documentation is freely available at http://structure.pitt.edu/software/FastContact
Keywords
docking, protein interactions, scoring, complex structure, binding mechanism, recognition, desolvation, free energy
References
- Camacho CJ and Zhang C (2005). FastContact: rapid estimate of contact and binding free energies. Bioinformatics, 21(10):2534-6.
- 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.
External links
- FastContact binaries — available for download
- FastContact Server
