Protein-ligand docking with MOE: introduction

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. 

SCS-UIUC-moe-tutorial-dock-05-2011.pdf2.7 MB