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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.

Lab experiments support COVID-19 bradykinin storm theory

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 scientists created a new microbial trait mapping process that improves on classical protoplast fusion techniques to identify the genes that trigger desirable genetic traits like improved biomass processing. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy. Reprinted with the permission of Oxford University Press, publisher of Nucleic Acids Research

Retro technique advances modern bacterial engineering for bioenergy

ORNL scientists had a problem mapping the genomes of bacteria to better understand the origins of their physical traits and improve their function for bioenergy production.

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

Scientists use Summit supercomputer, deep learning to predict protein functions at genome scale

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.