Maryam Olagunju

Ph.D. Student

Curriculum Vitae

since 10/2018
PhD student at the Computational Biochemistry Group at IBI-7: Structural Biochemistry, Forschungszentrum Jülich, Germany. 

05/2014 – 10/2015
M.Sc. in Biology (Biotechnology), Afe Babalola University, Ado-Ekiti Nigeria.
Thesis supervised by Dr. Olujide Olubiyi.

09/2009 – 07/2013
B.Sc. in Microbiology, Afe Babalola University, Ado-Ekiti.

Professional Career

11/2016 – 06/2018
Assistant Lecturer, Afe Babalola University, Ado-Ekiti.

11/2014 – 11/2016
Graduate Assistant, Department of Biolgical Sciences, ABUAD, Nigeria.


  • DAAD Fellowship, 2018-2019.
Maryam Olagunju

Contact Details

Forschungszentrum Jülich

IBI-7: Structural Biochemistry
52425 Jülich

Tel.: +49 2461 61-9477

Research interests

  • Molecular Dynamic simulations to study protein aggregation
  • Computer Aided Drug Design and discovery
  • Biotechnology


Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS
J. Loschwitz, A. Jäckering, M. Keutmann, M. Olagunju, O. O. Olubiyi, B Strodel
Data in Brief 35, 106948 (2021) [link] 

Novel Inhibitors of the Main Protease of SARS-CoV-2 Identified via a Molecular Dynamics Simulation-Guided in Vitro Assay
J. Loschwitz, A. Jäckering, M. Keutmann, M. Olagunju, R. J. Eberle, M. A. Coronado, O. O. Olubiyi, B. Strodel
ChemRxiv. (2020) [link]

High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2
O. O. Olubiyi, M. Olagunju, M. Keutmann, J. Loschwitz, B. Strodel
Molecules 25, 3193 (2020) [link]

Structural Basis of Antisickling Effects of Selected FDA Approved drugs: A Drug repurposing study
O.O. Olubiyi , M.O. Olagunju, J.O. Oni, A.O. Olubiyi
Curr Comput Aided Drug Des. 14: 106-116 (2018) [link] 

Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction
O.O. Olubiyi, M.O. Olagunju, A.O. Obisesan
Curr Comput Aided Drug Des. 13: 39-47 (2017) [link]