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Shown here is the structure of the NEMO protein. A team from ORNL conducted extensive molecular dynamics work on Summit by using both quantum mechanics and machine-learning methods to look at the binding affinity of NEMO and 3CLpro in humans and other species and to consider the structural models derived from the sequences of other coronaviruses. Image courtesy Nature Communications, Dan Jacobson/ORNL.

A new paper published in Nature Communications adds further evidence to the bradykinin storm theory of COVID-19’s viral pathogenesis — a theory that was posited two years ago by a team of researchers at the Department of Energy’s Oak Ridge National Laboratory.

A team of researchers used mathematics to predict which areas of the SARS-CoV-2 spike protein are most likely to mutate. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Researchers from ORNL, the University of Tennessee at Chattanooga and Tuskegee University used mathematics to predict which areas of the SARS-CoV-2 spike protein are most likely to mutate.

Technology Innovation Program

Five technologies invented by scientists at the Department of Energy’s Oak Ridge National Laboratory have been selected for targeted investment through ORNL’s Technology Innovation Program.

Data from different sources are joined on platforms created by ORNL researchers to offer better information for decision makers. Credit: ORNL/Nathan Armistead

When the COVID-19 pandemic stunned the world in 2020, researchers at ORNL wondered how they could extend their support and help

Frontier has arrived, and ORNL is preparing for science on Day One. Credit: Carlos Jones/ORNL, Dept. of Energy

The Frontier supercomputer at the Department of Energy’s Oak Ridge National Laboratory earned the top ranking today as the world’s fastest on the 59th TOP500 list, with 1.1 exaflops of performance. The system is the first to achieve an unprecedented level of computing performance known as exascale, a threshold of a quintillion calculations per second.

The ORNL researchers’ findings may enable better detection of uranium tetrafluoride hydrate, a little-studied byproduct of the nuclear fuel cycle, and better understanding of how environmental conditions influence the chemical behavior of fuel cycle materials. Credit: Kevin Pastoor/Colorado School of Mines

ORNL researchers used the nation’s fastest supercomputer to map the molecular vibrations of an important but little-studied uranium compound produced during the nuclear fuel cycle for results that could lead to a cleaner, safer world.

Oak Ridge National Laboratory researchers quantified human behaviors during the early days of COVID-19, which could be useful for disaster response or city planning. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

Researchers at Oak Ridge National Laboratory have empirically quantified the shifts in routine daytime activities, such as getting a morning coffee or takeaway dinner, following safer at home orders during the early days of the COVID-19 pandemic.

Scientists, from left, Parans Paranthaman, Tina Summers and Merlin Theodore at the DOE’s Carbon Fiber Technology Facility at ORNL are partnering with industry and university to develop antiviral materials for N95 masks. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory researchers collaborated with Iowa State University and RJ Lee Group to demonstrate a safe and effective antiviral coating for N95 masks. The coating destroys the COVID-19-causing coronavirus and could enable reuse of masks made from various fabrics.

Dongarra in 2019 with Oak Ridge National Laboratory's Summit supercomputer

A force within the supercomputing community, Jack Dongarra developed software packages that became standard in the industry, allowing high-performance computers to become increasingly more powerful in recent decades.

Genetic analysis revealed connections between inflammatory activity and development of atomic dermatitis, according to researchers from the UPenn School of Medicine, the Perelman School of Medicine, and Oak Ridge National Laboratory. Credit: Kang Ko/UPenn

University of Pennsylvania researchers called on computational systems biology expertise at Oak Ridge National Laboratory to analyze large datasets of single-cell RNA sequencing from skin samples afflicted with atopic dermatitis.