Difference between revisions of "Tutorials"
From Rizzo_Lab
| Line 5: | Line 5: | ||
*[[DOCK_CV Tutorials]] - Covalent Docking | *[[DOCK_CV Tutorials]] - Covalent Docking | ||
*[[DOCK_GA Tutorials]] - Genetic Algorithm | *[[DOCK_GA Tutorials]] - Genetic Algorithm | ||
| − | *[[Pose Reproduction Tutorial]] - Pose Reproduction Tutorial | + | *[[Pose Reproduction Tutorial]] - Pose Reproduction Tutorial (SOP for Rizzo Lab members) |
| − | *[[Cross Docking Tutorial]] - Cross Docking Tutorial | + | *[[Cross Docking Tutorial]] - Cross Docking Tutorial (SOP for Rizzo Lab members) |
| − | *[[Ligand Enrichment Tutorial]] - Ligand Enrichment Tutorial | + | *[[Ligand Enrichment Tutorial]] - Ligand Enrichment Tutorial (SOP for Rizzo Lab members) |
| − | *[[Test Set Tutorial V1]] - Test Set Tutorial V1 ( | + | *[[Test Set Tutorial V1]] - Test Set Tutorial V1 (SOP for (re)building test sets for Rizzo Lab members) |
|} | |} | ||
Revision as of 17:31, 27 February 2024
- DOCK_VS Tutorials - Traditional Virtual Screening
- DOCK_DN Tutorials - De Novo Design
- DOCK_CV Tutorials - Covalent Docking
- DOCK_GA Tutorials - Genetic Algorithm
- Pose Reproduction Tutorial - Pose Reproduction Tutorial (SOP for Rizzo Lab members)
- Cross Docking Tutorial - Cross Docking Tutorial (SOP for Rizzo Lab members)
- Ligand Enrichment Tutorial - Ligand Enrichment Tutorial (SOP for Rizzo Lab members)
- Test Set Tutorial V1 - Test Set Tutorial V1 (SOP for (re)building test sets for Rizzo Lab members)
Disclaimer: The VS and DN tutorials are written by students learning to use dock in a classroom setting. A new dock tutorial is created every year collaboratively by students in the AMS 536 class. All the tutorials follow a similar progression, but are built around different protein-ligand complexes from the PDB.
Some of the input files may have been modified to reduce runtime in order to work well in a classroom setting. For production work, please consult the current DOCK Manual for details.
