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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.

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.

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.