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Augustine Onyema

Biochemistry PhD Student, Sharon Loverde’s Lab

Job Title


Looking for summer research opportunities for 2024 in the field of Computational Chemistry. Open to learning more about companies that work in Computer-Aided Drug Design and Molecular Dynamics Simulation.


Augustine Onyema is a Ph.D. candidate who works at Loverde’s lab at the College of Staten Island-CUNY. He uses molecular dynamics (MD) simulation to study the dynamics of biological systems including the nucleosome which is the monomeric unit of the chromosome and target enzymes (proteins) implicated in different clinical conditions. Augustine seeks to understand the mechanism of different cellular machinery and how their thermodynamic stability is affected by mutation. He employs different forcefields and free energy methods to comprehend the structural changes in biological molecules. When outside the lab, Augustine plays soccer and sees sci-fi movies.

Technical Skills

In silico molecular modeling, MD simulation, Free energy calculations, Data analysis with python.

Professional Development Skills

• Basics skills in writing manuscripts for publication, June 2023
• Insight into Markov State Modelling of biological systems, May 2023
• Communicating Science through poster presentation at NanoBioNYC, April 2023
• Anton 2 hands-on training on running MD simulation by D. E. Shaw Research, Dec. 2022
• Frontiers in Computational Chemistry Symposium, NYU Simons Center, NYU, Oct, 2022
• Training on MD simulation and Free-Energy Calculation by MoBioChem (Autonomous University of Madrid), Feb. 2022


• Ezeh, M. I., Okonkwo, O. E., Okpoli, I. N., Orji, C. E., Modozie, B. U., Onyema, A. C., & Ezebuo, F. C. (2022). Chemoinformatic Design and Profiling of Derivatives of Dasabuvir, Efavirenz, and Tipranavir as Potential Inhibitors of Zika Virus RNA-Dependent RNA Polymerase and Methyltransferase. ACS Omega, 7(37), 33330–33348.
• Durojaye, O. A., Onyema, A. C., Ilo, C. C., Ali, K. C., Onuorah, O. and Cosmas, S. (2018). Gedunin modification for anticancer properties improvement against the human NAD+ kinase. International Journal of Latest Research in engineering and Technology (IJLRET), 4(11): 8-14.


• A.C. Onyema, P.K. Tang, P. Khatua, and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Poster at the 50th Middle Atlantic Regional Meeting (MARM) of the American Chemical Society (ACS), 2022 in New Jersey, USA.
• C.B. Lukong, J.C. Ifemeje, C. Egbuna, and A.C. Onyema. Influence of Pesticide Treatment on the Protein Content of Three Nigerian most Cultivated Vigna Species' seedlings. Abstract of the 3rd world Environment Day International Conference 2019, IMSU, Nigeria. Page 18.


• Winner of the MolSSI software Fellowship (July 2023-June 2024)
• Winner of the CUNY Doctoral Student Research Grant (DSRG) (June 2022-May 2023).
• Recipient of CUNY science Fellowship (2020-present).
• Recipient of opportunity fund program (OFP) from US embassy, Nigeria (2019).
• Recipient of NYSC chairmanship award from NYSC Bauchi state, Nigeria (April 2016).

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