Facilitates high throughput virtual screening. UNPD is a database that provides a comprehensive resource of natural products for virtual screening. It includes more than 220,000 molecules and their identification information and molecular properties. Each molecule in this resource has unambiguous stereo configuration. It also contained more than 65 million of docked conformations of natural products and FDA-approved drugs.
Beijing National Laboratory for Molecular Sciences, State Key Lab of Rare Earth Material Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing, China; Institute of Science and Technology, China Agricultural University, Beijing, China
UNPD funding source(s)
Supported by the Major Scientific and Technological Special Project for ‘Significant New Drugs Formulation’ number 2012ZX09501001; 012ZX09301002-001.