Listar INAM_Articles por autoría "b0b77253-aa1f-4cc8-a31e-e450450d961e"
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Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV2 Mpro Explored by QM\/MM Simulations
Martí, Sergio; Arafet Cruz, Kemel; Lodola, Alessio; Mulholland, Adrian; Świderek, Katarzyna; Moliner, Vicent American Chemical Society (2021-12-26)The COVID-19 pandemic, caused by the severe acute respiratory syndrome coronavirus-2, SARS-CoV-2, shows the need for effective antiviral treatments. Here, we present a simulation study of the inhibition of the SARS-CoV-2 ...