Tutorials
From Rizzo_Lab
- 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 - 2024 V1 (SOP for Rizzo Lab members)
- Cross Docking Tutorial - 2024 V1 (SOP for Rizzo Lab members)
- Ligand Enrichment Tutorial - 2024 V1 (SOP for Rizzo Lab members)
- Test Set Tutorial V1 - 2024 V1 (SOP for (re)building SB20xx 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.
