Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface. - Julia Liang; Chris Karagiannis; Eleni Pitsillou; Kevion K. Darmawan; Ken Ng; Andrew Hung; Tom C. Karagiannis (Comput. Biol. Chem., 2020)

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-protein complex. - Julia Liang; Eleni Pitsillou; Chris Karagiannis; Kevion K. Darmawan; Ken Ng; Andrew Hung; Tom C. Karagiannis (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. - Eleni Pitsillou; Julia Liang; Chris Karagiannis; Katherine Ververis; Kevion K. Darmawan; Ken Ng; Andrew Hung; Tom C. Karagiannis (Comput. Biol. Chem., 2020)