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    • openAccess   Discovery of SARS-CoV-2 M-pro peptide inhibitors from modelling substrate and ligand binding 

      Chan, Henry; Moesser, Marc Alexander; Walters, Rebecca; Malla, Tika; Twidale, Rebecca; John, Tobias; Deeks, Helen M.; Johnston-Wood, Tristan; Mikhailov, Victor; Sessions, Richard; Dawson, William; Salah, Eidarus; Lukacik, Petra; Strain-Damerell, Claire; Owen, David; Nakajima, Takahito; Świderek, Katarzyna; Lodola, Alessio; Moliner, Vicent; Glowacki, David; Walsh, Martin Austin; Schofield, Christopher; Genovese, Luigi; Shoemark, Deborah K.; Mulholland, Adrian; Duarte, Fernanda; Morris, Garrett The Royal Society of Chemistry (2021-09-06)
      The main protease (Mpro) of SARS-CoV-2 is central to viral maturation and is a promising drug target, but little is known about structural aspects of how it binds to its 11 natural cleavage sites. We used biophysical and ...