Docking@Home
Encyclopedia
Docking@Home is a distributed computing
project hosted by the University of Delaware
and running on the Berkeley Open Infrastructure for Network Computing (BOINC)
software platform. It models protein
-ligand
docking using the CHARMM
program. The ultimate aim is the development of new pharmaceutical drugs.
Distributed computing
Distributed computing is a field of computer science that studies distributed systems. A distributed system consists of multiple autonomous computers that communicate through a computer network. The computers interact with each other in order to achieve a common goal...
project hosted by the University of Delaware
University of Delaware
The university is organized into seven colleges:* College of Agriculture and Natural Resources* College of Arts and Sciences* Alfred Lerner College of Business and Economics* College of Earth, Ocean and Environment* College of Education and Human Development...
and running on the Berkeley Open Infrastructure for Network Computing (BOINC)
Berkeley Open Infrastructure for Network Computing
The Berkeley Open Infrastructure for Network Computing is an open source middleware system for volunteer and grid computing. It was originally developed to support the SETI@home project before it became useful as a platform for other distributed applications in areas as diverse as mathematics,...
software platform. It models protein
Protein
Proteins are biochemical compounds consisting of one or more polypeptides typically folded into a globular or fibrous form, facilitating a biological function. A polypeptide is a single linear polymer chain of amino acids bonded together by peptide bonds between the carboxyl and amino groups of...
-ligand
Ligand (biochemistry)
In biochemistry and pharmacology, a ligand is a substance that forms a complex with a biomolecule to serve a biological purpose. In a narrower sense, it is a signal triggering molecule, binding to a site on a target protein.The binding occurs by intermolecular forces, such as ionic bonds, hydrogen...
docking using the CHARMM
CHARMM
CHARMM is the name of a widely used set of force fields for molecular dynamics as well as the name for the molecular dynamics simulation and analysis package associated with them...
program. The ultimate aim is the development of new pharmaceutical drugs.