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)

Utilisation of the OliveNet™ Library to investigate phenolic compounds using molecular modelling studies in the context of Alzheimer's disease. - Julia Liang; Eleni Pitsillou; Abella Y. L. Man; Sibonginkosi Madzima; Sarah M. Bresnehan; Michael E. Nakai; Andrew Hung; Tom C. Karagiannis (Comput. Biol. Chem., 2020)

Molecular docking utilising the OliveNet™ library reveals novel phenolic compounds which may potentially target key proteins associated with major depressive disorder. - Eleni Pitsillou; Julia Liang; 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)

Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain. - Eleni Pitsillou; Julia Liang; Raymond C. Beh; Andrew Hung; Tom C. Karagiannis (Comput. Biol. Medicine, 2022)

Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity. - Eleni Pitsillou; Julia Liang; Raymond C. Beh; Jacqueline Prestedge; Seda Catak; Andrew Hung; Tom C. Karagiannis (Comput. Biol. Medicine, 2022)

Investigation of RNA-binding protein NOVA1 in silico: Comparison of the modern human V197 with the archaic I197 variant present in Neanderthals. - Julia Liang; Eleni Pitsillou; Tom C. Karagiannis (Comput. Biol. Medicine, 2024)