Tutorials for DOCK 6.13
Rizzo et alia Tutorials
NOTE: These tutorials showcase the latest features and best practices from the currently most active DOCK developers.
Traditional Grid Score Tutorials
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)
Rigid and Flexible Ligand Docking (download files)
AMBER Score Tutorials
Overview and Input Preparation
NOTE: The input files are in tutorials/amber_scoring_demo.
Miscellaneous Demos
Rescoring DOCK Runs with Solvation Scoring Functions
NOTE: The input files are in tutorials/solvent_scoring_demo.Using Parallel Processing
NOTE: The input files are in tutorials/mpi_demo.