UNIT 8.12 Flexible Ligand Docking with Glide
Published Online: 1 JUN 2007
Copyright © 2007 by John Wiley and Sons, Inc.
Lab Protocol Title
Current Protocols in Bioinformatics
How to Cite
Repasky, M. P., Shelley, M. and Friesner, R. A. 2007. Flexible Ligand Docking with Glide. Current Protocols in Bioinformatics. 18:8.12.1–8.12.36.
- Published Online: 1 JUN 2007
- Published Print: JUN 2007
Glide is a ligand docking program for predicting protein-ligand binding modes and ranking ligands via high-throughput virtual screening. Glide utilizes two different scoring functions, SP and XP GlideScore, to rank-order compounds. Three modes of sampling ligand conformational and positional degrees of freedom are available to determine the optimal ligand orientation relative to a rigid protein receptor geometry. This unit presents protocols for flexible ligand docking with Glide, optionally including ligand constraints or ligand molecular similarities.
- ligand docking;
- protein-ligand interactions;
- protein-ligand binding