Protein-ligand docking with MOE

Submitted by pogorelo on Thu, 06/06/2013 - 11:14

This tutorial is designed to introduce docking calculations using MOE: preparation of ligand: minimization in gas phase and solution, analysis of the active site of a protein-ligand complex with known structure, docking of new ligand to the protein with Dock, and analysis of the docked complexes. 

Attachment Size
SCS-UIUC-moe-tutorial-dock-05-2011.pdf 2.7 MB