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![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.](/sites/default/files/styles/list_page_thumbnail/public/2019-03/Slide1_0.png?h=c855054e&itok=aNbgxXsc)
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](/sites/default/files/styles/list_page_thumbnail/public/2019-03/19-G00204_MR_graphic_Kovalevsky_proof5_2.png?h=b7fbb1a9&itok=wrZFNX-o)
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.
![Oak Ridge National Laboratory entrance sign](/themes/custom/ornl/images/default-thumbnail.jpg)
The unique process of accepting a new supercomputer is one of the most challenging projects a programmer may take on during a career. When the Oak Ridge Leadership Computing Facility’s (OLCF’s) Verónica Melesse Vergara came to the United States from Ecuador in 2005, she never would have dreamed of being part of such an endeavor. But just last fall, she was.
![Neutron scattering allowed direct observation of how aurein induces lateral segregation in the bacteria membranes, which creates instability in the membrane structure. This instability causes the membranes to fail, making harmful bacteria less effective.](/sites/default/files/styles/list_page_thumbnail/public/2019-03/Neutrons-FightingSuperbugs_0.jpg?h=e4b73f5a&itok=ebOQD-Mr)
As the rise of antibiotic-resistant bacteria known as superbugs threatens public health, Oak Ridge National Laboratory’s Shuo Qian and Veerendra Sharma from the Bhaba Atomic Research Centre in India are using neutron scattering to study how an antibacterial peptide interacts with and fights harmful bacteria.
![(From left) ORNL Associate Laboratory Director for Computing and Computational Sciences Jeff Nichols; ORNL Health Data Sciences Institute Director Gina Tourassi; DOE Deputy Under Secretary for Science Thomas Cubbage; ORNL Task Lead for Biostatistics Blair Christian; and ORNL Research Scientist Ioana Danciu were invited to the White House to showcase an ORNL-developed digital tool aimed at better matching cancer patients with clinical trials.](/sites/default/files/styles/list_page_thumbnail/public/2019-03/TourassiWH%5B1%5D.png?h=26b5064d&itok=HUC2iYmE)
OAK RIDGE, Tenn., March 4, 2019—A team of researchers from the Department of Energy’s Oak Ridge National Laboratory Health Data Sciences Institute have harnessed the power of artificial intelligence to better match cancer patients with clinical trials.
![Using neutrons from the TOPAZ beamline, which is optimal for locating hydrogen atoms in materials, ORNL researchers observed a single-crystal neutron diffraction structure of the insoluble carbonate salt formed by absorption of carbon dioxide from the air.](/sites/default/files/styles/list_page_thumbnail/public/2019-02/Carbon_capture_neutrons_0.jpg?h=4137a28c&itok=ZBLNFjNc)
Researchers used neutron scattering at Oak Ridge National Laboratory’s Spallation Neutron Source to investigate the effectiveness of a novel crystallization method to capture carbon dioxide directly from the air.
![Laminations such as these are compiled to form the core of modern electric vehicle motors. ORNL has developed a software toolkit to speed the development of new motor designs and to improve the accuracy of their real-world performance.](/sites/default/files/styles/list_page_thumbnail/public/2019-02/Motors_OeRSTED_0.jpg?h=af53702d&itok=mT24R4WI)
Oak Ridge National Laboratory scientists have created open source software that scales up analysis of motor designs to run on the fastest computers available, including those accessible to outside users at the Oak Ridge Leadership Computing Facility.
OAK RIDGE, Tenn., Feb. 12, 2019—A team of researchers from the Department of Energy’s Oak Ridge and Los Alamos National Laboratories has partnered with EPB, a Chattanooga utility and telecommunications company, to demonstrate the effectiveness of metro-scale quantum key distribution (QKD).
![Researchers used machine learning methods on the ORNL Compute and Data Environment for Science, or CADES, to map vegetation communities in the Kougarok Watershed on the Seward Peninsula of Alaska. The colors denote different types of vegetation, such as w Researchers used machine learning methods on the ORNL Compute and Data Environment for Science, or CADES, to map vegetation communities in the Kougarok Watershed on the Seward Peninsula of Alaska. The colors denote different types of vegetation, such as w](/sites/default/files/styles/list_page_thumbnail/public/rs2019_highlight_plot_3d.png?itok=5bROV_ys)
A team of scientists led by Oak Ridge National Laboratory used machine learning methods to generate a high-resolution map of vegetation growing in the remote reaches of the Alaskan tundra.
![Researchers analyzed the oxygen structure (highlighted in red) found in a perovskite’s crystal structure at room temperature, 500°C and 900°C using neutron scattering at ORNL’s Spallation Neutron Source. Analyzing how these structures impact solid oxide f Researchers analyzed the oxygen structure (highlighted in red) found in a perovskite’s crystal structure at room temperature, 500°C and 900°C using neutron scattering at ORNL’s Spallation Neutron Source. Analyzing how these structures impact solid oxide f](/sites/default/files/styles/list_page_thumbnail/public/Neutron-Fueling_better_power_image1.jpg?itok=tZtIORnX)
A University of South Carolina research team is investigating the oxygen reduction performance of energy conversion materials called perovskites by using neutron diffraction at Oak Ridge National Laboratory’s Spallation Neutron Source.