Discovery of SARS-CoV-2 Mpro Peptide Inhibitors from Modelling Substrate and Ligand Binding
H. T. Henry Chan, Marc A. Moesser, Rebecca K. Walters, Tika R. Malla, Rebecca M. Twidale, Tobias John, Helen M. Deeks, Tristan Johnston-Wood, Victor A. Mikhailov, Richard Barry Sessions, William Dawson, E. Salah, Petra Lukacik, Claire M. Strain-Damerell, Callum D. Owen, , Garrett M. Morris
The paper models SARS-CoV-2 Mpro substrate and ligand binding to identify new inhibitor opportunities through computational analysis of binding interactions.
Chemical Science · Jan 1, 2021Peer-reviewedBioinformatics