Tutorials for DOCK 6.5

Rigid and Flexible Ligand Docking

NOTE: All the input files for these tutorials can be found in the tutorials/ligand_sampling_demo directory in the DOCK distribution.

Receptor and Ligand Structure Preparation (download files)

Sphere Generation and Selection (download files)

Grid Generation (download files)

Docking (download files)

 

AMBER Score

Overview and Input Preparation
  NOTE: The input files are in tutorials/amber_scoring_demo.

Custom Input Preparation

Coming Soon

• Tutorials for Rescoring RNA Receptors with Amber Score

Planned for the Distant Future

• Tutorials for Rescoring DOCK Runs with Solvation Scoring Functions
• Tutorials for DOCK 3.5 Scoring Functions
• Tutorials for Enrichment of Libraries
• Tutorials for Using Parallel Processing