Difference between revisions of "FastContact"

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The executable and full documentation is freely available at http://structure.pitt.edu/software/FastContact
 
The executable and full documentation is freely available at http://structure.pitt.edu/software/FastContact
  
== Keywords ==
+
==Keywords==
 
docking, protein interactions, scoring, complex structure, binding mechanism, recognition, desolvation, free energy
 
docking, protein interactions, scoring, complex structure, binding mechanism, recognition, desolvation, free energy
  
 
== See also ==
 
== See also ==
* [[Dr. Carlos J. Camacho Laboratory]]
+
*[[Dr. Carlos J. Camacho Laboratory]]
* [[SmoothDock]]
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*[[SmoothDock]]
  
== References ==
+
==References==
 
<small><references/></small>
 
<small><references/></small>
=== Further reading ===
+
===Further reading===
 
* Camacho CJ, Ma H, and [[Christoph Champ|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''.
 
* Camacho CJ, Ma H, and [[Christoph Champ|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''.
 
* Camacho CJ and Zhang C (2005). FastContact: rapid estimate of contact and binding free energies. ''Bioinformatics, 21(10):2534-6''.
 
* Camacho CJ and Zhang C (2005). FastContact: rapid estimate of contact and binding free energies. ''Bioinformatics, 21(10):2534-6''.
  
== External links ==
+
==External links==
* [http://structure.pitt.edu/software/FastContact FastContact binaries] &mdash; available for download
+
*[http://structure.pitt.edu/software/FastContact/ FastContact binaries] &mdash; available for download
* [http://structure.pitt.edu/servers/fastcontact/ FastContact Server]
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*[http://structure.pitt.edu/servers/fastcontact/ FastContact Server]
  
 
[[Category:Academic Research]]
 
[[Category:Academic Research]]
 
[[Category:Bioinformatics]]
 
[[Category:Bioinformatics]]

Revision as of 06:58, 12 February 2007

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.[1]

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.[1]

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

See also

References

  1. 1.0 1.1 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.
  • Camacho CJ and Zhang C (2005). FastContact: rapid estimate of contact and binding free energies. Bioinformatics, 21(10):2534-6.

External links