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Molecular dynamics simulations of SARS-CoV-2 main protease and potential inhibitors

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The pandemic COVID-19 is induced by the novel coronavirus SARS-CoV-2. The virus main protease (Mpro) cleaves the coronavirus polyprotein translated from the viral RNA in the host cells. Because of... Click to show full abstract

The pandemic COVID-19 is induced by the novel coronavirus SARS-CoV-2. The virus main protease (Mpro) cleaves the coronavirus polyprotein translated from the viral RNA in the host cells. Because of...

Keywords: dynamics simulations; molecular dynamics; main protease; simulations sars; sars cov

Journal Title: Physical Chemistry Chemical Physics
Year Published: 2023

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