Molecular modeling is the theme of this month’s issue of Drug Discovery Today’s Editor’s Choice newsletter. Molecular modeling is an established computational toolbox to assist early drug discovery and development. It can be used to generate ideas on a compounds or macromolecules 3D conformation, protein–ligand interactions, and to make predictions on biological activities. In close collaboration with medicinal chemistry and biological experiments, the incorporation of molecular modeling can bring helpful insights into the behavior of molecules and make early drug discovery more efficient.
26 April, 2012
The latest issue of Drug Discovery Today is packed full of industry focused research articles, new developments in drug discovery, and expert comment and opinion.
02 April, 2012