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 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 | '''Molecular docking''' is the process of posing, scoring and ranking small molecules in the binding sites of proteins to prioritize compounds for aquisition and experimental testing. 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]]. | ||
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== Docking Programs == | == Docking Programs == | ||
* [[DOCK 3]] - latest version is [[DOCK 3.7]] | * [[DOCK 3]] - latest version is [[DOCK 3.7]] | ||
* [[DOCK 6]] - latest version is [[DOCK 6.6]] | * [[DOCK 6]] - latest version is [[DOCK 6.6]] | ||
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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 your program, please add it here. | If we have forgotten your program, please add it here. | ||
Revision as of 06:30, 3 June 2015
Molecular docking is the process of posing, scoring and ranking small molecules in the binding sites of proteins to prioritize compounds for aquisition and experimental testing. 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.
Docking Programs
- 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 it 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.