| Molecular modeling in drug discovery TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... Informatics in Medicine Unlocked 29, 100880, 2022 | 106 | 2022 |
| Targeting the mitochondrial permeability transition pore for drug discovery: Challenges and opportunities ID Boyenle, AK Oyedele, AT Ogunlana, AF Adeyemo, FS Oyelere, ... Mitochondrion 63, 57-71, 2022 | 22 | 2022 |
| Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations TI Adelusi, AQK Oyedele, OE Monday, ID Boyenle, MO Idris, AT Ogunlana, ... Journal of Molecular Structure 1250, 131879, 2022 | 22 | 2022 |
| Consensus scoring-based virtual screening and molecular dynamics simulation of some TNF-alpha inhibitors ID Boyenle, TI Adelusi, AT Ogunlana, RA Oluwabusola, NO Ibrahim, ... Informatics in Medicine Unlocked 28, 100833, 2022 | 22 | 2022 |
| Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices AQK Oyedele, AT Ogunlana, ID Boyenle, AO Adeyemi, TO Rita, TI Adelusi, ... Molecular Diversity 27 (4), 1879-1903, 2023 | 20 | 2023 |
| Integrated virtual screening and molecular dynamics simulation revealed promising drug candidates of p53-MDM2 interaction AQK Oyedele, TI Adelusi, AT Ogunlana, RO Adeyemi, OE Atanda, ... Journal of Molecular Modeling 28 (6), 142, 2022 | 13 | 2022 |
| Checkpoints and immunity in cancers: Role of GNG12 A Alausa, UC Victor, OS Fadahunsi, N Owolabi, A Adeniji, M Olatinwo, ... Pharmacological Research 180, 106242, 2022 | 9 | 2022 |
| Molecular modeling in drug discovery. Inform Med Unlocked 29: 100880 TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... | 6 | 2022 |
| Computer-aided drug design of some KRAS G12C inhibitors: targeting the covalent and allosteric binding site for cancer therapy AT Ogunlana, AQK Oyedele, ID Boyenle, SO Ayoola, AC Ajibare, ... Informatics in Medicine Unlocked 32, 101032, 2022 | 6 | 2022 |
| Structure-based computational design of novel covalent binders for the treatment of sickle cell disease AT Ogunlana, ID Boyenle, TO Ojo, BO Quadri, OE Elegbeleye, ... Journal of Molecular Graphics and Modelling 124, 108549, 2023 | 4 | 2023 |
| Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations AQK Oyedele, AT Ogunlana, ID Boyenle, NO Ibrahim, IO Gbadebo, ... Molecular Diversity 27 (4), 1795-1807, 2023 | 4 | 2023 |
| Reinstating apoptosis using putative Bcl-xL natural product inhibitors: Molecular docking and ADMETox profiling investigations ID Boyenle, AT Ogunlana, AQK Oyedele, BK Olokodana, N Owolabi, ... Journal of Taibah University Medical Sciences 18 (3), 461-469, 2023 | 4 | 2023 |
| Promising disruptors of p53-MDM2 dimerization from some medicinal plant phytochemicals: a molecular modeling study AQK Oyedele, TI Adelusi, AT Ogunlana, MA Ayoola, RO Adeyemi, ... Journal of Biomolecular Structure and Dynamics 41 (12), 5817-5826, 2023 | 3 | 2023 |
| The discovery of some promising putative binders of KRAS G12D receptor using computer-aided drug discovery approach AQK Oyedele, NA Owolabi, TT Odunitan, AA Christiana, RO Jimoh, ... Informatics in Medicine Unlocked 37, 101170, 2023 | 3 | 2023 |
| Inhibitors of α-glucosidase and Angiotensin-converting Enzyme in the Treatment of Type 2 Diabetes and its Complications: A Review on in Silico Approach OAQ Kehinde, BI Damilare, AT Ogunlana, A Mojeed Ayoola, ... Pharmaceutical and Biomedical Research 8 (4), 237-258, 2022 | | 2022 |
| Phytochemical based sestrin2 pharmacological modulators in the treatment of adenocarcinomas A Alausa, UC Victor, UO Celestine, IA Eweje, TA Balogun, R Adeyemi, ... Phytomedicine Plus 1 (4), 100133, 2021 | | 2021 |
