Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-p...

by Liang, Julia, Pitsillou, Eleni, Karagiannis, Chris, Darmawan, Kevion K, Ng, Ken, Hung, Andrew, Karagiannis, Tom C.
Published in Comput Biol Chem (2020)

Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface

by Liang, Julia, Karagiannis, Chris, Pitsillou, Eleni, Darmawan, Kevion K., Ng, Ken, Hung, Andrew, Karagiannis, Tom C.
Published in Comput Biol Chem (2020)

Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay

by Pitsillou, Eleni, Liang, Julia, Karagiannis, Chris, Ververis, Katherine, Darmawan, Kevion K., Ng, Ken, Hung, Andrew, Karagiannis, Tom C.
Published in Comput Biol Chem (2020)