Molecular docking: Difference between revisions

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{{Wiktionary}}
#REDIRECT [[Category:Docking]]
[[Image:Docking.jpg|right|300px|]] '''Molecular docking''' is the process of posing and scoring small molecules in the binding sites of macromolecules, usually proteins. In low throughput, it can be used for understanding a [[structure activity relationship]] series. In high throughput, also called [[virtual screening]], it can be used for ranking a database of small, often drug-like molecules from best to worst according to some [[scoring scheme]]. Top scoring compounds are inspected for purchase or, in the case of a [[virtual library]], synthesis.
 
[[DOCK]] is the implementation of molecular docking and virtual screening that we develop and use at [[UCSF]].
 
[[Category:Docktionary]]
[[Category:Articles to be expanded]]

Latest revision as of 17:32, 15 February 2014

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