| Molecular modeling in drug discovery TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... Informatics in Medicine Unlocked 29, 100880, 2022 | 106 | 2022 |
| Computer-aided screening for potential TMPRSS2 inhibitors: a combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approaches MO Idris, AA Yekeen, OS Alakanse, OA Durojaye Journal of Biomolecular Structure and Dynamics 39 (15), 5638-5656, 2021 | 73 | 2021 |
| 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 |
| Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors–An insight into the atomistic mechanisms of their antioxidant potential TI Adelusi, M Abdul-Hammed, MO Idris, QK Oyedele, IO Adedotun Heliyon 7 (6), 2021 | 22 | 2021 |
| Exploring the inhibitory potentials of Momordica charantia bioactive compounds against Keap1-Kelch protein using computational approaches TI Adelusi, M Abdul-Hammed, MO Idris, OQ Kehinde, ID Boyenle, ... In Silico Pharmacology 9 (1), 39, 2021 | 17 | 2021 |
| CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses AA Yekeen, OA Durojaye, MO Idris, HF Muritala, RO Arise Computational and Structural Biotechnology Journal 21, 4849-4858, 2023 | 13 | 2023 |
| Identification of a potential mRNA‐based vaccine candidate against the SARS‐CoV‐2 spike glycoprotein: A reverse vaccinology approach OA Durojaye, DM Sedzro, MO Idris, AA Yekeen, AA Fadahunsi, ... ChemistrySelect 7 (7), e202103903, 2022 | 7 | 2022 |
| Cyclophilins: The structure and functions of an important peptidyl-prolyl isomerase M Idris, M Idris, F Adeola, DM Sedzro Int. J. Biochem. Biophys. Mol. Biol 4, 1-6, 2019 | 7 | 2019 |
| Molecular modeling in drug discovery. Inform Med Unlocked 29: 100880 TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... | 6 | 2022 |
| Csc01 shows promise as a potential inhibitor of the oncogenic G13D mutant of KRAS: an in silico approach OA Durojaye, U Ejaz, HO Uzoeto, AA Fadahunsi, AO Opabunmi, DE Ekpo, ... Amino Acids 55 (12), 1745-1764, 2023 | 4 | 2023 |
| Identifying Potential p53‐MDM2 Interaction Antagonists: An Integrated Approach of Pharmacophore‐Based Virtual Screening, Interaction Fingerprinting, MD Simulation and DFT Studies DM Sedzro, MO Idris, OA Durojaye, AA Yekeen, AA Fadahunsi, ... ChemistrySelect 7 (39), e202202380, 2022 | 3 | 2022 |
| Identification of lead inhibitors of TMPRSS2 isoform 1 of SARS-CoV-2 target using neural network, random forest, and molecular docking AS Oluwaseun, JI Yinka, GO Ambrose, AT Olamide, SF Adenike, ... Data Science for COVID-19, 547-575, 2022 | 2 | 2022 |
| Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulations OA Durojaye, AA Yekeen, MO Idris, NO Okoro, AS Odiba, BC Nwanguma International Journal of Biological Macromolecules, 131840, 2024 | | 2024 |
| ZBTB7A regulates primed‐to‐naïve transition of pluripotent stem cells via recognition of the PNT‐associated sequence by zinc fingers 1–2 and recognition of γ‐globin− 200 gene … Y Yang, L Xiao, Y Xue, MO Idris, J Liu, D Pei, Y Shi, B Liao, F Li The FEBS Journal 290 (15), 3896-3909, 2023 | | 2023 |
| Descriptor-free QSAR: effectiveness in screening for putative inhibitors of FGFR1 IY Joel, LA Sulaimon, MO Idris, TO Adigun, RA Adisa, TA Ademoye, ... Journal of Biomolecular Structure and Dynamics 41 (5), 2016-2032, 2023 | | 2023 |
| Modelling and docking analysis of a tumor target protein BAG3 I Mukhtar, SO Alakanse, FA Sulaiman, G Oche, OJN Ambrose, OI Malachi, ... Bioinformation 16 (4), 351-358, 2020 | | 2020 |
| Informatics in Medicine Unlocked TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... | | |
