Tutorials

• 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
• Cross Docking Tutorial - Cross Docking Tutorial
• Ligand Enrichment Tutorial - Ligand Enrichment Tutorial

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.