An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus.
Deborah Frincke, one of the nation’s preeminent computer scientists and cybersecurity experts, serves as associate laboratory director of ORNL’s National Security Science Directorate. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy
At the Department of Energy’s Oak Ridge National Laboratory, scientists use artificial intelligence, or AI, to accelerate the discovery and development of materials for energy and information technologies.
Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.
For a researcher who started out in mechanical engineering with a focus on engine combustion, Martin Wissink has learned a lot about neutrons on the job
In the quest for advanced vehicles with higher energy efficiency and ultra-low emissions, ORNL researchers are accelerating a research engine that gives scientists and engineers an unprecedented view inside the atomic-level workings of combustion engines in real time.
Experiments led by researchers at ORNL have determined that several hepatitis C drugs can inhibit the SARS-CoV-2 main protease, a crucial protein enzyme that enables the novel coronavirus to reproduce.
To better understand how the novel coronavirus behaves and how it can be stopped, scientists have completed a three-dimensional map that reveals the location of every atom in an enzyme molecule critical to SARS-CoV-2 reproduction.
Scientists at ORNL used neutron scattering and supercomputing to better understand how an organic solvent and water work together to break down plant biomass, creating a pathway to significantly improve the production of renewable
A team of researchers has performed the first room-temperature X-ray measurements on the SARS-CoV-2 main protease — the enzyme that enables the virus to reproduce.