We use Molecular docking to screen large libraries of commercially available molecules to prioritize them for purchase or synthesis.
In our lab, a large database of small molecules such as ZINC is screened using a docking program such as DOCK. Many other libraries and docking programs are available (below). The top-scoring compounds are reviewed in a hit picking party and then purchased and tested experimentally. Our current version of DOCK is DOCK 3.8. There is a second, independent version of DOCK DOCK 6.9.
There are many docking programs. All of them have been successfully used for ligand discovery. The first three are from UCSF.
- DOCK 3 - latest version is DOCK 3.8 - this is the version our group uses routinely.
- DOCK 6 - latest version is DOCK 6.9
- DOCK 4
- Surflex Dock
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.
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.