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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

Benjamin Sulman, a scientist in ORNL’s Environmental Sciences Division, creates Earth system models that simulate how plants, microbes and soils interact and influence the cycling of carbon, water and nutrients in their environment. His work aims to helps researchers across disciplines better understand complex, rapidly changing ecosystems, including coastal wetlands and Arctic permafrost soils. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

As rising global temperatures alter ecosystems worldwide, the need to accurately simulate complex environmental processes under evolving conditions is more urgent than ever.

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.

ORNL has modeled the spike protein that binds the novel coronavirus to a human cell for better understanding of the dynamics of COVID-19. Credit: Stephan Irle/ORNL, U.S. Dept. of Energy

To better understand the spread of SARS-CoV-2, the virus that causes COVID-19, Oak Ridge National Laboratory researchers have harnessed the power of supercomputers to accurately model the spike protein that binds the novel coronavirus to a human cell receptor.

The researchers embedded a programmable model into a D-Wave quantum computer chip. Credit: D-Wave

Since the 1930s, scientists have been using particle accelerators to gain insights into the structure of matter and the laws of physics that govern our world.

Fungi use signaling molecules called LCOs to communicate with each other and to regulate growth. Credit: Jessy Labbe/Oak Ridge National Laboratory, U.S. Dept. of Energy

Oak Ridge National Laboratory and collaborators have discovered that signaling molecules known to trigger symbiosis between plants and soil bacteria are also used by almost all fungi as chemical signals to communicate with each other.

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.