ORNL supercomputer simulations enhance understanding of protein motion and function

With the help of Titan— the fastest supercomputer in the U.S., located at the DOE Office of Science’s Oak Ridge Leadership Computing Facility—DOE researchers developed a complete picture of protein dynamics, revealing that the structural fluctuations within any two identical protein molecules, even if coded from the same gene, turn out to be different.

The discovery could change how researchers understand the internal motions of proteins that play functional, structural and regulatory roles in all living organisms. The team’s results are featured in Nature Physics.

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