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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.

Researchers at Oak Ridge National Laboratory designed an adsorbent material to rapidly remove toxic chromium and arsenic simultaneously from water resources. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

Researchers at ORNL are tackling a global water challenge with a unique material designed to target not one, but two toxic, heavy metal pollutants for simultaneous removal.

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.

The ORNL-developed AquaBOT measures a range of water quality indicators, providing data for studies focused on clean water and sustainable energy. Credit: Natalie Griffiths/ORNL, U.S. Dept. of Energy

Measuring water quality throughout river networks with precision, speed and at lower cost than traditional methods is now possible with AquaBOT, an aquatic drone developed by Oak Ridge National Laboratory.

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.

ORNL researchers worked with partners at the Colorado School of Mines and Baylor University to develop a new process optimization and control method for a closed-circuit reverse osmosis desalination system. The work is intended to support fully automated, decentralized water treatment plants. Credit: Andrew Sproles/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists worked with the Colorado School of Mines and Baylor University to develop and test control methods for autonomous water treatment plants that use less energy and generate less waste.

ORNL’s Marie Kurz examines the many factors affecting the health of streams and watersheds. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Spanning no less than three disciplines, Marie Kurz’s title — hydrogeochemist — already gives you a sense of the collaborative, interdisciplinary nature of her research at ORNL.

Results show change in annual aridity for the years 2071-2100 compared to 1985-2014. Brown shadings (negative numbers) indicate drier conditions. Black dots indicate statistical significance at the 90% confidence level. Credit: Jiafu Mao/ORNL, U.S. Dept. of Energy

A new analysis from Oak Ridge National Laboratory shows that intensified aridity, or drier atmospheric conditions, is caused by human-driven increases in greenhouse gas emissions. The findings point to an opportunity to address and potentially reverse the trend by reducing emissions.

An ORNL-led team studied the SARS-CoV-2 spike protein in the trimer state, shown here, to pinpoint structural transitions that could be disrupted to destabilize the protein and negate its harmful effects. Credit: Debsindhu Bhowmik/ORNL, U.S. Dept. of Energy

To explore the inner workings of severe acute respiratory syndrome coronavirus 2, or SARS-CoV-2, researchers from ORNL developed a novel technique.

This protein drives key processes for sulfide use in many microorganisms that produce methane, including Thermosipho melanesiensis. Researchers used supercomputing and deep learning tools to predict its structure, which has eluded experimental methods such as crystallography.  Credit: Ada Sedova/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory and the Georgia Institute of Technology is using supercomputing and revolutionary deep learning tools to predict the structures and roles of thousands of proteins with unknown functions.