All Stories

  1. Molecular dynamics and enhanced sampling simulations reveal phosphorylation-driven conformational changes in the CENP-LN complex

    Article • Next Research, February 2026, Elsevier

    Mr Olanrewaju Ayodeji Durojaye

  2. CCL18 and EGF May Serve as Potential Prognostic Biomarkers and Therapeutic Targets for Human Breast Cancer

    Article • International Journal of Breast Cancer, January 2025, Wiley

    Mr Olanrewaju Ayodeji Durojaye

  3. Revolutionizing drug discovery: an AI-powered transformation of molecular docking

    Article • Medicinal Chemistry Research, June 2024, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  4. AlphaFold-latest: revolutionizing protein structure prediction for comprehensive biomolecular insights and therapeutic advancements

    Article • Beni-Suef University Journal of Basic and Applied Sciences, May 2024, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  5. Delineation of the CENP-LN sub-complex dissociation mechanism upon multisite phosphorylation during mitosis

    Article • Journal of Biomolecular Structure and Dynamics, August 2023, Taylor & Francis

    Mr Olanrewaju Ayodeji Durojaye

  6. CSC01 shows promise as a potential inhibitor of the oncogenic G13D mutant of KRAS: an in silico approach

    Article • Amino Acids, July 2023, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  7. CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses

    Article • July 2023, Cold Spring Harbor Laboratory Press

    Mr Olanrewaju Ayodeji Durojaye

  8. MasitinibL shows promise as a drug-like analog of masitinib that elicits comparable SARS-Cov-2 3CLpro inhibition with low kinase preference

    Article • Scientific Reports, April 2023, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  9. CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses

    Article • Computational and Structural Biotechnology Journal, January 2023, Elsevier

    Mr Olanrewaju Ayodeji Durojaye

  10. Immunity evasion: consequence of the N501Y mutation of the SARS-CoV-2 spike glycoprotein

    Article • Journal of Genetic Engineering and Biotechnology, December 2022, Elsevier

    Mr Olanrewaju Ayodeji Durojaye

  11. Identifying Potential p53‐MDM2 Interaction Antagonists: An Integrated Approach of Pharmacophore‐Based Virtual Screening, Interaction Fingerprinting, MD Simulation and DFT Studies

    Article • ChemistrySelect, October 2022, Wiley

    Mr Olanrewaju Ayodeji Durojaye

  12. Computer-aided molecular modeling and structural analysis of the human centromere protein–HIKM complex

    Article • Beni-Suef University Journal of Basic and Applied Sciences, August 2022, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  13. A New Variant of Mutational and Polymorphic Signatures in the ERG11 Gene of Fluconazole-Resistant Candida albicans

    Article • Infection and Drug Resistance, June 2022, Taylor & Francis

    Mr Olanrewaju Ayodeji Durojaye

  14. Mad2 promotes Cyclin B2 recruitment to the kinetochore for guiding accurate mitotic checkpoint

    Article • EMBO Reports, April 2022, EMBO

    Mr Olanrewaju Ayodeji Durojaye

  15. Identification of a Potential mRNA‐based Vaccine Candidate against the SARS‐CoV‐2 Spike Glycoprotein: A Reverse Vaccinology Approach

    Article • ChemistrySelect, February 2022, Wiley

    Mr Olanrewaju Ayodeji Durojaye

  16. Oral cavity infection by the SARS-CoV-2: emphasizing the essence of masking and peptide therapeutics

    Article • Egyptian Journal of Medical Human Genetics, January 2022, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  17. Intracellular proteome compartmentalization: a biotin ligase-based proximity labeling approach

    Article • Cell & Bioscience, August 2021, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  18. Computer-aided molecular modeling and structural analysis of the human centromere protein-HIKM complex

    Article • July 2021, Wiley

    Mr Olanrewaju Ayodeji Durojaye

  19. Characterization of the SARS-CoV-2 coronavirus X4-like accessory protein

    Article • Egyptian Journal of Medical Human Genetics, May 2021, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  20. Gene therapy in PIDs, hemoglobin, ocular, neurodegenerative, and hemophilia B disorders

    Article • Open Life Sciences, January 2021, De Gruyter

    Mr Olanrewaju Ayodeji Durojaye

  21. An in silico LLPS perturbation approach in the design of a novel SARS-CoV-2 spike receptor-binding domain inhibitor

    Article • Egyptian Journal of Medical Human Genetics, November 2020, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  22. Potential therapeutic target identification in the novel 2019 coronavirus: insight from homology modeling and blind docking study

    Article • Egyptian Journal of Medical Human Genetics, October 2020, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  23. An in silico epitope-based peptide vaccine design against the 2019-nCoV

    Article • Egyptian Journal of Medical Human Genetics, July 2020, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  24. Computer-aided screening for potential TMPRSS2 inhibitors: a combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approaches

    Article • Journal of Biomolecular Structure and Dynamics, July 2020, Taylor & Francis

    Mr Olanrewaju Ayodeji Durojaye

  25. Celastrol inhibits ezrin-mediated migration of hepatocellular carcinoma cells

    Article • Scientific Reports, July 2020, Springer Science + Business Media

    Mr Olanrewaju Ayodeji Durojaye

  26. Comparative in-silico parmacokinetics and molecular docking study on gedunin isolated from Azadirachta indica, its modified derivatives and selected antifolate drugs as potential dihydrofolate reductase inhibitors of Plasmodium falciparum

    Article • International Journal of Computational Biology and Drug Design, January 2020, Inderscience Publishers

    Mr Olanrewaju Ayodeji Durojaye