Category:Docking

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Molecular docking is the process of posing, scoring and ranking small molecules in the binding sites of proteins. Typically, a large database of molecules such as ZINC is screened and ranked using a docking program such as DOCK. The top scoring compounds are reviewed in a hit picking party and then purchased and tested experimentally. There are many good molecular docking programs (see below). DOCK 3 is the implementation of molecular docking and virtual screening that we develop and use at UCSF and University of Toronto.

Incomplete List of Docking Programs

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The difference between the Docking category and the Category:DOCK category is that DOCK is specific to our software, whereas Docking (this page) includes all docking programs and the approach in general.