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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.

Solar panels funded by the Honnold Foundation are installed in Adjuntas, Puerto Rico. Credit: Fabio Andrade

When Hurricane Maria battered Puerto Rico in 2017, winds snapped trees and destroyed homes, while heavy rains transformed streets into rivers. But after the storm passed, the human toll continued to grow as residents struggled without electricity for months. Five years later, power outages remain long and frequent.

Scattering-type scanning near-field optical microscopy, a nondestructive technique in which the tip of the probe of a microscope scatters pulses of light to generate a picture of a sample, allowed the team to obtain insights into the composition of plant cell walls. Credit: Ali Passian/ORNL, U.S. Dept. of Energy

To optimize biomaterials for reliable, cost-effective paper production, building construction, and biofuel development, researchers often study the structure of plant cells using techniques such as freezing plant samples or placing them in a vacuum.

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.

A smart approach to microscopy and imaging developed at Oak Ridge National Laboratory could drive discoveries in materials for future technologies. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

Researchers at ORNL are teaching microscopes to drive discoveries with an intuitive algorithm, developed at the lab’s Center for Nanophase Materials Sciences, that could guide breakthroughs in new materials for energy technologies, sensing and computing.

ORNL, VA and Harvard researchers developed a sparse matrix full of anonymized information on what is thought to be the largest cohort of healthcare data used for this type of research in the U.S. The matrix can be probed with different methods, such as KESER, to gain new insights into human health. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

A team of researchers has developed a novel, machine learning–based  technique to explore and identify relationships among medical concepts using electronic health record data across multiple healthcare providers.

Oak Ridge National Laboratory researchers used an invertible neural network, a type of artificial intelligence that mimics the human brain, to select the most suitable materials for desired properties, such as flexibility or heat resistance, with high chemical accuracy. The study could lead to more customizable materials design for industry.

A study led by researchers at ORNL could help make materials design as customizable as point-and-click.

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.

ORNL is designing a neutronic research engine to evaluate new materials and designs for advanced vehicles using the facilities at the Spallation Neutron Source at ORNL. Credit: Jill Hemman/ORNL, U.S. Dept of Energy, and  Southwest Research Institute.

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.