Computer molecular physics has contributed to the understanding of protein behavior by creating 3D models of molecular machines and setting them in motion. Researchers at Stony Brook University are using the Frontera supercomputer at the Texas Advanced Computing Center to make structure predictions for 19 proteins from the SARS-CoV-2 virus about which little is known. Their team uses a method they developed, called MELD, that accelerates the structure prediction process by orders of magnitude.
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Source: ScienceDaily