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Neutron scattering experiments show electric charges, shown in red, blue and grey, in the SARS-CoV-2 main protease site where telaprevir binds to the structure. The experiments provide critical data for the design of small-molecule drugs to treat COVID-19. Credit: Jill Hemman and Michelle Lehman/ORNL, U.S. Dept. of Energy

Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.  

ORNL recognized the small businesses that have made a positive impact on ORNL’s operations at the virtual 2020 Small Business Awards. Credit: ORNL, U.S. Dept. of Energy

Thirty-two Oak Ridge National Laboratory employees were named among teams recognized by former DOE Secretary Dan Brouillette with Secretary’s Honor Awards as he completed his term. Four teams received new awards that reflect DOE responses to the coronavirus pandemic.

Frontier supercomputer

A multi-institutional team, led by a group of investigators at Oak Ridge National Laboratory, has been studying various SARS-CoV-2 protein targets, including the virus’s main protease. The feat has earned the team a finalist nomination for the Association of Computing Machinery, or ACM, Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.

coronavirus

NellOne Therapeutics has licensed a drug delivery system from the Department of Energy’s Oak Ridge National Laboratory that is designed to transport therapeutics directly to cells infected by SARS-CoV-2, the virus causing COVID-19.

Sandra Davern performs cell based assays to evaluate cell death and DNA damage in response to radiation in order to gain a better understanding of how radioisotope nanoparticles affect the human body.

When Sandra Davern looks to the future, she sees individualized isotopes sent into the body with a specific target: cancer cells.

The first neutron structure of the SARS-CoV-2 main protease enzyme revealed unexpected electrical charges in the amino acids cysteine (negative) and histidine (positive), providing key data about the virus’s replication. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

To better understand how the novel coronavirus behaves and how it can be stopped, scientists have completed a three-dimensional map that reveals the location of every atom in an enzyme molecule critical to SARS-CoV-2 reproduction.

ORNL researchers and energy storage startup Sparkz have developed a cobalt-free cathode material for use in lithium-ion batteries Credit: Ilias Belharouak/Oak Ridge National Laboratory, U.S. Dept. of Energy

Four research teams from the Department of Energy’s Oak Ridge National Laboratory and their technologies have received 2020 R&D 100 Awards.

Enzyme activity during organophosphate poisoning

Pick your poison. It can be deadly for good reasons such as protecting crops from harmful insects or fighting parasite infection as medicine — or for evil as a weapon for bioterrorism. Or, in extremely diluted amounts, it can be used to enhance beauty.

Analyses of lung fluid cells from COVID-19 patients conducted on the nation’s fastest supercomputer point to gene expression patterns that may explain the runaway symptoms produced by the body’s response to SARS-CoV-2. Credit: Jason B. Smith/ORNL, U.S. Dept. of Energy

A team led by Dan Jacobson of Oak Ridge National Laboratory used the Summit supercomputer at ORNL to analyze genes from cells in the lung fluid of nine COVID-19 patients compared with 40 control patients.

Computational biophysicist Ada Sedova is using experiments and high-performance computing to explore the properties of biological systems and predict their form and function, including research to accelerate drug discovery for COVID-19. Photo credit: Jason Richards, Oak Ridge National Laboratory, U.S. Dept. of Energy.

Ada Sedova’s journey to Oak Ridge National Laboratory has taken her on the path from pre-med studies in college to an accelerated graduate career in mathematics and biophysics and now to the intersection of computational science and biology