Research

Publications

2026

Akinnusi, P. A., Egunjobi, G. D., Akinnusi, A., Oluwadare, T., Ogunbiyi, F., & Shodehinde, S. A. (2026). Machine learning-guided drug repurposing for EGFR inhibition using scaffold-split validation, docking, and molecular dynamics. Journal of Computer-Aided Molecular Design, 40(1), 142. 

Akinnusi, P. A., Egunjobi, G. D., & Akinnusi, A. J. (2026). ML-Guided Prioritization in Virtual Screening: Docking-Supervised, Potency-Supervised, and Hybrid Strategies. In Silico Research in Biomedicine, 100451. 

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