During the pandemic, protein binding simulations have had a heyday as researchers scrambled to use supercomputing to find effective ways to inhibit SARS-CoV-2’s spike protein. But developing a better understanding of protein binding has a wide range of applications outside of treating COVID-19, ranging from drug screenings for a wide range of diseases and conditions to the development of novel biological materials. Now, researchers have leveraged the Summit supercomputer at Oak Ridge National Laboratory (ORNL) to study protein-protein binding, shedding new light on how those processes function.
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