School of Chemical Sciences University Of Illinois computing@scs.uiuc.edu
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Docking Studies in InsightII

The purpose of this workshop is to acquaint you with the interface to InsightII and its basic commands, as well as help you set up your system for docking studies.

During this hands-on workshop you will:
  • get acquainted with the various menus and commands in InsightII for visualization of molecules
  • set up a protein-ligand system for energy calculations;
  • learn about manual docking of ligands
  • prepare your protein-ligand system for automatic docking using different protocols
  • analyze the results of your docking runs
  • build a new ligand for docking