Going Slow to Go Fast: An Integrated Approach to COVID-19 Therapeutic Discovery at the DOE National Laboratories
Presenter
Event Type
Invited Talk
Applications
Computational Science
TP
XO / EX
TimeTuesday, 16 November 20211:30pm - 2:15pm CST
LocationFerrara Theatre
DescriptionThe Department of Energy National Laboratories collectively responded to the COVID-19 pandemic through research supported by the DOE Office of Science National Virtual Biotechnology Laboratory (NVBL), with funding provided by the Coronavirus CARES Act. The NVBL Molecular Design project brought together nine DOE National Laboratories to search for therapeutics that might interrupt as many parts of the SARS-CoV-2 viral life cycle as possible. The computing expertise and computational horsepower of the DOE formed the foundation of this project, along with tight coupling to national laboratory experimental capabilities in structural biology, chemical synthesis and complex biological systems. This talk will describe how this integrated computational and experimental approach led to the discovery of multiple experimentally validated hits for viral protein targets.
