Tutorials for DOCK 6.11

Rizzo et alia Tutorials

NOTE: These tutorials showcase the latest features and best practices from the currently most active DOCK developers.

Lab Tutorials

Class Tutorials


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.

Custom Input Preparation


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.