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 | '''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 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 | |||
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: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)
- DOCK 3 - latest version is DOCK 3.7
- DOCK 6 - latest version is DOCK 6.6
- DOCK 4
- Glide
- Surflex Dock
- FlexX
- GOLD
- ICM
- FRED
- MOE
- AutoDock
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.
Subcategories
This category has the following 3 subcategories, out of 3 total.
Pages in category "Docking"
The following 46 pages are in this category, out of 46 total.