Docking@Home was a

volunteer computing Volunteer computing is a type of distributed computing in which people donate their computers' unused resources to a research-oriented project, and sometimes in exchange for credit points. The fundamental idea behind it is that a modern desktop co ...

project hosted by the

University of Delaware The University of Delaware (colloquially UD or Delaware) is a public land-grant research university located in Newark, Delaware. UD is the largest university in Delaware. It offers three associate's programs, 148 bachelor's programs, 121 mas ...

and running on the Berkeley Open Infrastructure for Network Computing (BOINC) software platform. It models

protein Proteins are large biomolecules and macromolecules that comprise one or more long chains of amino acid residues. Proteins perform a vast array of functions within organisms, including catalysing metabolic reactions, DNA replication, respo ...

ligand In coordination chemistry, a ligand is an ion or molecule (functional group) that binds to a central metal atom to form a coordination complex. The bonding with the metal generally involves formal donation of one or more of the ligand's electr ...

docking using the

CHARMM Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package associated with them. The CHA ...

program. Volunteer computing allows an extensive search of protein-ligand docking conformations and selection of near-native ligand conformations are achieved by using ligand based hierarchical clustering. The ultimate aim was the development of new

pharmaceutical drug A medication (also called medicament, medicine, pharmaceutical drug, medicinal drug or simply drug) is a drug used to diagnose, cure, treat, or prevent disease. Drug therapy (pharmacotherapy) is an important part of the medical field and re ...

s. The project was retired on May 23, 2014.

References

External links

* * Science in society Volunteer computing projects Internet properties disestablished in 2014 University of Delaware Free science software {{compu-network-stub

See also

References

Further reading

External links