Category:Docking: Difference between revisions

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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]].
'''Molecular docking''' is the process of posing, scoring and ranking small molecules in the binding sites of proteins to prioritize compounds for aquisition.  Typically, a large database of small molecules such as [[ZINC]] is screened 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 molecular docking programs to choose from (see below).  [[DOCK 3]] is the implementation of molecular docking and virtual screening that we develop and use at [[UCSF]] and [[University of Toronto]].


= Docking Programs (Incomplete) =  
= Docking Programs (Incomplete) =  


* [[DOCK 3]] - latest version is [[DOCK 3.7]]
* [[DOCK 6]] - latest version is [[DOCK 6.6]]
* [[DOCK 6]] - latest version is [[DOCK 6.6]]
* [[DOCK 3]] - latest version is [[DOCK 3.7]]
* [[DOCK 4]]
* [[DOCK 4]]
* [http://www.schrodinger.com Glide]
* [http://www.schrodinger.com Glide]
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* [http://www.chemcomp.com MOE]
* [http://www.chemcomp.com MOE]
* [http://autodock.scripps.edu/ AutoDock]
* [http://autodock.scripps.edu/ AutoDock]
If we have forgotten you, please add yourself here.
 
If we have forgotten your program, please add yourself here.


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.  
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.  
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[[Category:Jargon]]
[[Category:Jargon]]
[[Category:Portal]]
[[Category:Portal]]
[[Category:Topic]]
[[Category:Software]]
[[Category:Software]]

Revision as of 15:17, 12 March 2014

Molecular docking is the process of posing, scoring and ranking small molecules in the binding sites of proteins to prioritize compounds for aquisition. Typically, a large database of small molecules such as ZINC is screened 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 molecular docking programs to choose from (see below). DOCK 3 is the implementation of molecular docking and virtual screening that we develop and use at UCSF and University of Toronto.

Docking Programs (Incomplete)

If we have forgotten your program, please add yourself here.

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.