Protein–ligand docking and structure-based drug design
Published Online: 15 JUL 2006
Copyright © 2005 John Wiley & Sons, Ltd
Encyclopedia of Genetics, Genomics, Proteomics and Bioinformatics
How to Cite
Oledzki, P. R., Laurie, A. T. R. and Jackson, R. M. 2006. Protein–ligand docking and structure-based drug design. Encyclopedia of Genetics, Genomics, Proteomics and Bioinformatics.
- Published Online: 15 JUL 2006
Protein-ligand docking and de novo drug design have become increasingly important tools in aiding the drug design process, particularly with the recent increase in the number of pharmaceutically relevant macromolecular structures that have become available. Here, we review current methods and their applications, and highlight some recent successes in structure-based drug design.
Keywords: virtual screening; de novo drug design; scoring functions; docking search procedures