ORNL researchers led by Michael Garvin, left, and David Kainer discovered genetic mutations called structural variants and linked them to autism spectrum disorders, demonstrating an approach that could be used to develop better diagnostics and drug therapies. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy
Genetic markers for autism, hiding in plain sight
Shown here is the structure of the NEMO protein. A team from ORNL conducted extensive molecular dynamics work on Summit by using both quantum mechanics and machine-learning methods to look at the binding affinity of NEMO and 3CLpro in humans and other species and to consider the structural models derived from the sequences of other coronaviruses. Image courtesy Nature Communications, Dan Jacobson/ORNL.
Lab experiments support COVID-19 bradykinin storm theory
ORNL scientists identified four amino acids key to signaling pathways in the PAN protein domain. Mutating any of those four resulted in disruption of the signal that tells cancer cells to multiply and spread in humans. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy
Scientists discover cancer trigger that could spur targeted drug therapies

Biocomputing and Information

Advancing frontiers in computational methods of discovery for biological systems

The Biocomputing and Information Section advances frontiers in computational methods to analyze chemical, physical, and biological data and arrive at new predictions and discoveries. Researchers apply scalable computing and data science to characterize the structure, function, and dynamics of complex biomolecular systems. Scientists apply data science, predictive modeling, and high-performance computing to transform biological data into knowledge. This section is also home to specialists who develop communication strategies and informational materials about the fundamental research from DOE’s Office of Biological and Environmental Research.

Contact

Julie Mitchell
Julie C Mitchell
Director, Biosciences Division
mitchelljc@ornl.gov