e Drug3D: 3D structure collections dedicated to drug repurposing and fragment based drug design
MOTIVATION In the drug discovery field, new uses for old drugs, selective optimization of side activities and fragment based drug design (FBDD) have proved to be successful alternatives to high throughput screening. e Drug3D is a database of 3D chemical structures of drugs that provides several collections of ready to screen SD files of drugs and commercial drug fragments. They are natural inputs in studies dedicated to drug repurposing and FBDD. AVAILABILITY e Drug3D collections are freely available at http:/chemoinfo.ipmc.cnrs.fr/e drug3d.html either for download or for direct in silico web based screenings.
Bioinform.