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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](/sites/default/files/styles/list_page_thumbnail/public/2022-01/thermosipho_collabfold2_0.jpg?h=3432ff3c&itok=4xhLbjKZ)
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.
![Using quantum Monte Carlo methods, the researchers simulated bulk VO2. Yellow and turquoise represent changes in electron density between the excited and ground states of a compound composed of oxygen, in red, and vanadium, in blue, which allowed them to evaluate how an oxygen vacancy, in white, can alter the compound’s properties. Credit: Panchapakesan Ganesh/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2022-01/image001_0.png?h=11d99c73&itok=sdREw4na)
Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents researchers with a significant