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Researchers studying secondary metabolites in the fungus Aspergillus flavus, pictured, found unique mixes of metabolites corresponding to genetically distinct populations. The finding suggests local environmental conditions play a key role in secondary metabolite production, influencing the discovery of drugs and other useful compounds. Credit: Tomás Allen Rush/ORNL, U.S. Dept. of Energy.

Scientists at ORNL and the University of Wisconsin–Madison have discovered that genetically distinct populations within the same species of fungi can produce unique mixes of secondary metabolites, which are organic compounds with applications in

An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus.

Belinda Akpa applies her diverse expertise and high-performance computing to accelerate the drug discovery process and increase the chances of success when candidate molecules go to clinical trials. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Belinda Akpa is a chemical engineer with a talent for tackling big challenges and fostering inclusivity and diversity in the next generation of scientists.

Rich Giannone uses bioanalytical mass spectrometry to examine proteins, the primary driver in biological systems.

Rich Giannone uses bioanalytical mass spectrometry to examine proteins, the primary driver in biological systems.

ATOM logo

The Accelerating Therapeutics for Opportunities in Medicine , or ATOM, consortium today announced the U.S. Department of Energy’s Oak Ridge, Argonne and Brookhaven national laboratories are joining the consortium to further develop ATOM’s artificial intelligence, or AI-driven, drug discovery platform.

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.

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.

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