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The configurational ensemble (a collection of 3D structures) of an intrinsically disordered protein, the N-terminal of c-Src kinase, which is a major signaling protein in humans. Credit: Oak Ridge National Laboratory, U.S. Dept. of Energy.

Using the Titan supercomputer and the Spallation Neutron Source at the Department of Energy’s Oak Ridge National Laboratory, scientists have created the most accurate 3D model yet of an intrinsically disordered protein, revealing the ensemble of its atomic-level structures.

Summit supercomputer

Processes like manufacturing aircraft parts, analyzing data from doctors’ notes and identifying national security threats may seem unrelated, but at the U.S. Department of Energy’s Oak Ridge National Laboratory, artificial intelligence is improving all of these tasks.

Water and energy are inextricably linked, yet in our 20th-century water systems we use freshwater once then throw it away. With innovations designed to enhance desalination technologies, agricultural runoff, produced water from industry, and inland brackish groundwater that are now seen as untreatable could all be sources of clean, safe, and affordable water.

The National Alliance for Water Innovation, a partnership of the Department of Energy’s Oak Ridge National Laboratory, other national labs, university and private sector partners, has been awarded a five-year, $100 million Energy-Water Desalination Hub by DOE to address water security issues in the United States.

Project bridges compute staff, resources at ORNL and VA health data to speed suicide risk screening for US veterans. Image Credit: Carlos Jones, ORNL

In collaboration with the Department of Veterans Affairs, a team at Oak Ridge National Laboratory has expanded a VA-developed predictive computing model to identify veterans at risk of suicide and sped it up to run 300 times faster, a gain that could profoundly affect the VA’s ability to reach susceptible veterans quickly. 

Project bridges compute staff, resources at ORNL and VA health data to speed suicide risk screening for US veterans. Image Credit: Carlos Jones, ORNL

More than 6,000 veterans died by suicide in 2016, and from 2005 to 2016, the rate of veteran suicides in the United States increased by more than 25 percent.

Electro-Active Tech license signing ceremony

Electro-Active Technologies, Inc., of Knoxville, Tenn., has exclusively licensed two biorefinery technologies invented and patented by the startup’s co-founders while working at the Department of Energy’s Oak Ridge National Laboratory. The technologies work as a system that converts organic waste into renewable hydrogen gas for use as a biofuel.

Heat impact map

A detailed study by Oak Ridge National Laboratory estimated how much more—or less—energy United States residents might consume by 2050 relative to predicted shifts in seasonal weather patterns 

Galactic wind simulation

Using the Titan supercomputer at Oak Ridge National Laboratory, a team of astrophysicists created a set of galactic wind simulations of the highest resolution ever performed. The simulations will allow researchers to gather and interpret more accurate, detailed data that elucidates how galactic winds affect the formation and evolution of galaxies.

Alex Johs at ORNL's Spallation Neutron Source

Sometimes solutions to the biggest problems can be found in the smallest details. The work of biochemist Alex Johs at Oak Ridge National Laboratory bears this out, as he focuses on understanding protein structures and molecular interactions to resolve complex global problems like the spread of mercury pollution in waterways and the food supply.

The researchers used the new model to accurately identify clusters of gene mutations (spheres), which helped them study the emergence of various genetic diseases. Image credit: Ivaylo Ivanov, Georgia State University.

Environmental conditions, lifestyle choices, chemical exposure, and foodborne and airborne pathogens are among the external factors that can cause disease. In contrast, internal genetic factors can be responsible for the onset and progression of diseases ranging from degenerative neurological disorders to some cancers.