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Description: COVID-19 VIRUS Mechanistic Computer-Aided Drug Discovery Contact us if you're interested. The challenge: The molecules of the virus We study the actions of the molecules of the SARS-CoV-2 virus by computer modeling. A SARS-CoV-2 virus uses surface glycoprotein molecules (the spikes) to invade your cells. Then the virus inserts its one large RNA molecule --…
COVID Virus Drug Discovery at the Laufer Center
We study the actions of the molecules of the SARS-CoV-2 virus by computer modeling. A SARS-CoV-2 virus uses surface glycoprotein molecules (the spikes) to invade your cells. Then the virus inserts its one large RNA molecule — its blueprint for reproducing itself — into the cell. The cell copies the RNA to make the 29 different proteins the virus needs to multiply. Each protein has a unique folded shape. Knowing those shapes is a first step in drug discovery.
Computing helps us learn protein shapes; to learn how those shapes change in actionable ways; and to find chemicals that inhibit or activate the viral molecules.
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