| Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics DM Shadrack, G Deogratias, LW Kiruri, I Onoka, JM Vianney, H Swai, ... Journal of Molecular Modeling 27, 1-15, 2021 | 30 | 2021 |
| A review of the newly identified impurity profiles in methamphetamine seizures I Onoka, AT Banyika, PN Banerjee, JJ Makangara, L Dujourdy Forensic Science International: Synergy 2, 194-205, 2020 | 28 | 2020 |
| Geometrical structure, vibrational spectra and thermodynamic properties of chitosan constituents by DFT method I Onoka, AM Pogrebnoi, TP Pogrebnaya Science Publishing Group, 2014 | 26* | 2014 |
| In silico study of the inhibition of SARS-COV-2 viral cell entry by neem tree extracts DM Shadrack, SAH Vuai, MG Sahini, I Onoka RSC advances 11 (43), 26524-26533, 2021 | 11 | 2021 |
| Cation–π interactions drive hydrophobic self-assembly and aggregation of niclosamide in water SAH Vuai, MG Sahini, I Onoka, LW Kiruri, DM Shadrack RSC advances 11 (52), 33136-33147, 2021 | 5 | 2021 |
| Accommodating receptor flexibility and free energy calculation to reduce false positive binders in the discovery of natural products blockers of SARS-COV-2 spike RBD-ACE2 interface M Ogedjo, I Onoka, M Sahini, DM Shadrack Biochemistry and biophysics reports 27, 101024, 2021 | 3 | 2021 |
| Abrogating the nsp10–nsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study SAH Vuai, I Onoka, MG Sahini, HS Swai, DM Shadrack Molecular Simulation 47 (16), 1372-1380, 2021 | 1 | 2021 |
| Enhancing Virtual Screening Efficiency in the Discovery of Human TMPRSS2 Inhibitor for Combating COVID-19 SAH Vuai, MM Ogedjo, I Onoka, MG Sahini, DM Shadrack | | 2021 |
