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?:abstract
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It took scientists only a few days in January to deduce the genome of the novel coronavirus, SARS-CoV-2, giving researchers around the world blueprints to the virus’s molecular tools and machinery But for computational chemists and biophysicists, the hard work is just beginning They have spent the past 2 months using those blueprints to build computer models of the virus’s proteins These models could help them figure out how the proteins interact with human cells and could help them find therapies to prevent infections or treat COVID-19, the disease caused by the virus The scientists are now beginning to deploy these carefully crafted models Accurately modeling the thousands of atoms in proteins like the polymerase that SARS-CoV-2 uses to replicate its RNA can require significant computing power The need for computing power increases further when scientists want to simulate interactions between proteins or between proteins and molecules, and it increases
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