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Eleni Pitsillou
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2020 – today
- 2024
- [j8]Julia Liang
, Eleni Pitsillou, Tom C. Karagiannis
Investigation of RNA-binding protein NOVA1 in silico: Comparison of the modern human V197 with the archaic I197 variant present in Neanderthals. Comput. Biol. Medicine 183: 109278 (2024) - 2022
- [j7]Eleni Pitsillou, Julia Liang
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. Comput. Biol. Medicine 142: 105247 (2022) - [j6]Eleni Pitsillou, Julia Liang
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. Comput. Biol. Medicine 149: 106035 (2022) - 2020
- [j5]Eleni Pitsillou, Julia Liang
Molecular docking utilising the OliveNet™ library reveals novel phenolic compounds which may potentially target key proteins associated with major depressive disorder. Comput. Biol. Chem. 86: 107234 (2020) - [j4]Julia Liang
Utilisation of the OliveNet™ Library to investigate phenolic compounds using molecular modelling studies in the context of Alzheimer's disease. Comput. Biol. Chem. 87: 107271 (2020) - [j3]Julia Liang
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. Comput. Biol. Chem. 87: 107292 (2020) - [j2]Julia Liang, Chris Karagiannis, Eleni Pitsillou, Kevion K. Darmawan
Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface. Comput. Biol. Chem. 89: 107372 (2020) - [j1]Eleni Pitsillou, Julia Liang, Chris Karagiannis, Katherine Ververis, Kevion K. Darmawan
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. Comput. Biol. Chem. 89: 107408 (2020)
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