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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’s Melissa Allen-Dumas examines the ways global and regional climate models can shed light on local climate effects and inform equitable solutions. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

The world is full of “huge, gnarly problems,” as ORNL research scientist and musician Melissa Allen-Dumas puts it — no matter what line of work you’re in. That was certainly the case when she would wrestle with a tough piece of music.

Deeksha Rastogi uses high-performance computing to understand the human impacts of climate change. Credit: Carlos Jones, ORNL/U.S. Dept. of Energy

An international problem like climate change needs solutions that cross boundaries, both on maps and among disciplines. Oak Ridge National Laboratory computational scientist Deeksha Rastogi embodies that approach.

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.

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.

The TRITON model provides a detailed visualization of the flooding that resulted when Hurricane Harvey stalled over Houston for four days in 2017. Credit: Mario Morales-Hernández/ORNL, U.S. Dept. of Energy

A new tool from Oak Ridge National Laboratory can help planners, emergency responders and scientists visualize how flood waters will spread for any scenario and terrain.

Distinguished Inventors

Six scientists at the Department of Energy’s Oak Ridge National Laboratory were named Battelle Distinguished Inventors, in recognition of obtaining 14 or more patents during their careers at the lab.

Six ORNL scientists have been elected as fellows to the American Association for the Advancement of Science, or AAAS. Credit: ORNL, U.S. Dept. of Energy

Six ORNL scientists have been elected as fellows to the American Association for the Advancement of Science, or AAAS.

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.

ORNL assisted in investigating proteins called porins, one shown in red, which are found in the protective outer membrane of certain disease-causing bacteria and tether the membrane to the cell wall. Credit: Hyea (Sunny) Hwang/Georgia Tech and ORNL, U.S. Dept. of Energy

Scientists from Oak Ridge National Laboratory used high-performance computing to create protein models that helped reveal how the outer membrane is tethered to the cell membrane in certain bacteria.