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Computational identification of marine microalgal metabolites as human voltage-dependent anion channel 1 modulators: Virtual screening, DFT analysis, molecular dynamics simulation, and machine learning-supported cheminformatic validation

Oluwaseun E. Agboola
Oluwaseun E. Agboola
Odunayo Selimot Adedeji
Temitope C. Aribigbola
BE Oyinloye
Olutosin Samuel Olusola
Aniefon Samuel Umoekam
Olutosin S. Ilesanmi
Zainab A. Ayinla
Samuel S. Agboola
Babatunji Emmanuel Oyinloye
Olaposi Idowu Omotuyi
Babasola Aiyeku

20262 citationsOlusegun Agagu University of Science and Technology

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Research topics

Machine Learning in Bioinformatics
Molecular Communication and Nanonetworks
Marine Toxins and Detection Methods

Sustainable Development Goals

14Life Below Water

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DOI: 10.1016/j.nexres.2026.101695

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