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.
Keywords: Docking, structure based drug design, applications, virtual screening, fragment-based drug discovery.
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