Virtual Screening for Cancer Drug Discovery Using Supercomputer

Challenge of drug discovery: Millions of chemical compounds need to be considered Time and resource consuming task. Virtual screening can be a solution to this as Computer scientists screen the millions of compounds using supercomputers and Biologists evaluate the screened hundreds of candidates with biological experiments

Virtual screening with LONI & Teragrid clusters: Single machine takes 57 years [500,000 hours = 1,000,000 X 30min] Cluster machines takes a few weeks [500 hour = (1000,000 X 30 min)/1000 CPU]