View source for Tutorial on running DOCK3.7 with GIST

Tutorial by Trent Balius (2017/01/30).

This tutorial assumes that you have already completed the MD tutorial [Tutorial on running Molecular Dynamics for GIST grid generation].

# use the align the receptor and ligand to the MD frame.

# prepare the receptor for docking using blastermaster.  Flexible receptor docking is approximated by docking to 16 states.  

# modify the INDOCK file.

# download (or generate) ligand and decoy DUD-E like databases. 

# Dock ligand and decoy databases and perform enrichment analysis

# perform enrichment analyis