Augustine Onyema - Publications/Conferences

In Progress

Augustine Onyema, Chukwuebuka Dikeocha, Jonathan Moussa, and Sharon M. Loverde. Predicting the Allosteric Dynamics of Proteins with Time-Related Kinetic Correlation. (Manuscript in prep).

Peer Review

Onyema, A. C., Diforte, C., Patel, R., Poget, S.F., Loverde, S.M. (2025). Structural and Thermodynamic Impact of Oncogenic Mutations on the Nucleosome Core Particle. Biophys. J. doi:10.1016/j.bpj.2025.06.011
Moulick, G. A.; Patel, R.; Onyema, A.C.; Loverde, S. M. (2025). Unveiling nucleosome dynamics: A comparative study using all-atom and coarse-grained simulations enhanced by principal component analysis. J. Chem. Phys 162 (6). https://doi.org/10.1063/5.0246977.
Rutika Patel, Onyema, A. C. , Sharon M. Loverde. (2024). Conformational Dynamics of the Nucleosomal Histone H2B Tails Revealed by Molecular Dynamics Simulations. Journal of Chemical Information and Modeling, 64(12), 4709-4726. https://doi.org/10.1021/acs.jcim.4c00059.
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. https://doi.org/10.1021/acsomega.2c03945.
Onyema, A. C. and Joshua, P. E. (May, 2019). Submitted five (5) gene sequences of the Internally Transcribed Spacer (ITS) regions of different Candida species to the National Center for Biotechnology Information (NCBI), USA. GenBank Accession Numbers: GenBank: MK871659, GenBank: MK871660, GenBank: MK871661, GenBank: MK871662, GenBank: MK871663.
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.

Conferences

Plenary Presentations

A.C. Onyema and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Rising Stars in Computational and Data Science 2025, Oden Institute for Computational Engineering & Sciences, University of Texas at Austin, Texas, USA.
A.C. Onyema and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Plenary speaker at the Biophysical Society week JUST-B Seminar series, (March 2025)
A.C. Onyema, R. Patel, P. Khatua, P.K. Tang, P. Khatua, and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Plenary speaker and Poster Presenter at the 68th Annual Meeting of the Biophysical Society in Philadelphia, USA (Feb 2024).
A.C. Onyema, R. Patel, P. Khatua, P.K. Tang, P. Khatua, and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Plenary speaker at the Integrative Structural Biology Symposium (October 2023) organized by the CUNY-ASRC and the NYSBC in New York, 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. Plenary speaker at the 3rd world Environment Day International Conference 2019, IMSU, Nigeria. Page 18.

Poster Presentations

A.C. Onyema, R. Patel, and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Poster Presenter at the Society for Industrial and Applied Mathematics (SIAM) Conference on Computational Science and Engineering (CSE25) in Fort Worth, Texas, USA (March 2025).2025)
A.C. Onyema, C. Dikeocha, J. Moussa, and S. M. Loverde. Predicting the Allosteric Dynamics of Proteins with Time-Related Kinetic Correlation. Poster presenter at the 69th Annual Meeting of the Biophysical Society in Los Angeles, USA (Feb 2025).
A.C. Onyema and S.M. Loverde. Molecular Dynamics Simulations of the Structural Effects of Oncogenic Mutations in the Nucleosome. Poster presenter at the 5th Molecular Simulation Workshop at New Jersey Institute of Technology (NJIT), New Jersey, USA. (Sept. 2024).
A.C. Onyema, R. Patel, P. Khatua, 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 Fall 2023 American Chemical Society (ACS), in San Francisco, California, USA.
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.
A.C. Mgbeahuruike, P.E. Joshua, and A.C. Onyema. Isolation, identification, and molecular characterization of Candida species in women with HIV in Nsukka Local Government Area, Enugu State, Nigeria. Abstract of the 10th Annual Scientific conference 2018 of Mycological Society of Nigeria (MYCOSON), ABU Zaria, Nigeria. FH019, page 70.

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