Early research on existing drug compounds via supercomputing could combat coronavirus

Maria J. Danford

Scientists at the Section of Energy’s Oak Ridge National Laboratory have utilized Summit, the world’s most highly effective and smartest supercomputer, to recognize seventy seven compact-molecule drug compounds that could warrant further more analyze in the combat versus the SARS-CoV-2 coronavirus, which is accountable for the COVID-19 illness outbreak.

The two scientists executed simulations on Summit of far more than eight,000 compounds to monitor for people that are most probably to bind to the principal “spike” protein of the coronavirus, rendering it not able to infect host cells. They ranked compounds of curiosity that could have value in experimental studies

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