Valerie Campagna-Slater, Eric Therrien, Nathanael Weill and Nicolas Moitessier Pages 3360 - 3372 ( 13 )
A large number of research articles describe novel methodologies of docking and/or scoring methods. An even larger number of publications report the successful use of these methods in the identification of novel hit molecules. What is less documented is the application of docking methods in other areas. We review herein the application of docking methods to not only hit identification but also to de novo design, fragment-based drug discovery, lead optimization, metabolism prediction, off-target binding, selectivity, protein structure prediction and drug-drug interaction.
Docking, structure based drug design, applications, virtual screening, fragment-based drug discovery.
, , , Department of Chemistry, McGill University, 801 Sherbrooke St W, Montreal, Qc, Canada H3A 0B8 and Molecular Forecaster Inc., 969 Marc-Aurele Fortin, Laval, Qc, Canada, H7L 6H9.