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.
See also
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List of volunteer computing projects
This is a comprehensive list of volunteer computing projects; a type of distributed computing where volunteers donate computing time to specific causes. The donated computing power comes from idle CPUs and GPUs in personal computers, video game co ...
References
Further reading
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External links
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Science in society
Volunteer computing projects
Internet properties disestablished in 2014
University of Delaware
Free science software
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