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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.

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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.

Targeted alpha therapy can deliver radiation to specific cells, with minimal effect on surrounding, healthy cells. Credit: Michelle Lehman and Jaimee Janiga/ORNL, U.S. Dept. of Energy

A rare isotope in high demand for treating cancer is now more available to pharmaceutical companies developing and testing new drugs.

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 researchers combined additive manufacturing with conventional compression molding to produce high-performance thermoplastic composites, demonstrating the potential for the use of large-scale multimaterial preforms to create molded composites. Credit: ORNL/U.S. Dept. of Energy

Oak Ridge National Laboratory researchers combined additive manufacturing with conventional compression molding to produce high-performance thermoplastic composites reinforced with short carbon fibers.

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.

Representatives from The University of Toledo and the U.S. Department of Energy’s Oak Ridge National Laboratory (ORNL) in Tennessee are teaming up to conduct collaborative automotive materials research.” Credit: University of Toledo

ORNL and The University of Toledo have entered into a memorandum of understanding for collaborative research.

Layering on the strength

A team including Oak Ridge National Laboratory and University of Tennessee researchers demonstrated a novel 3D printing approach called Z-pinning that can increase the material’s strength and toughness by more than three and a half times compared to conventional additive manufacturing processes.

Molecular dynamics simulations of the Fs-peptide revealed the presence of at least eight distinct intermediate stages during the process of protein folding. The image depicts a fully folded helix (1), various transitional forms (2–8), and one misfolded state (9). By studying these protein folding pathways, scientists hope to identify underlying factors that affect human health.

Using artificial neural networks designed to emulate the inner workings of the human brain, deep-learning algorithms deftly peruse and analyze large quantities of data. Applying this technique to science problems can help unearth historically elusive solutions.

Illustration of the intricate organization of the PKA structure, wherein different parts of the protein are connected through elaborate hydrogen bonding networks (dashed yellow lines), glued together by the hydrophobic assemblies (light blue and orange volumes)—all working together to build the functional active site. Insert shows protonation of the transferred phosphoryl group (cyan mesh) and its many interactions with water and the active site amino acid residues. Credit: Jill Hemman/ORNL

OAK RIDGE, Tenn., March 20, 2019—Direct observations of the structure and catalytic mechanism of a prototypical kinase enzyme—protein kinase A or PKA—will provide researchers and drug developers with significantly enhanced abilities to understand and treat fatal diseases and neurological disorders such as cancer, diabetes, and cystic fibrosis.