Mohamed M Aboelnga

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 7

Top Topics

Density Functional Theory

Top Venues

Journal of biomolecular structure & dynamics

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Shadia A Elsayed, Islam M Elnabky, Mohamed M Aboelnga, Ahmed M El-Hendawy
Palladium(ii), platinum(ii), and silver(i) complexes with 3-acetylcoumarin benzoylhydrazone Schiff base: Synthesis, characterization, biomolecular interactions, cytotoxic activity, and computational studies. RSC advances 14 (27) (2024)
Shadia A Elsayed, Islam M Elnabky, Mohamed M Aboelnga, Ahmed M El-Hendawy
Palladium(ii), platinum(ii), and silver(i) complexes with 3-acetylcoumarin benzoylhydrazone Schiff base: Synthesis, characterization, biomolecular interactions, cytotoxic activity, and computational studies. RSC advances 14 (27) (2024)
Bogdan F Ion, Mohamed M Aboelnga, James W Gauld
QM/MM investigation of the discriminatory pre-transfer editing mechanism operated by Lysyl-tRNA synthetase. Journal of biomolecular structure & dynamics (2024)
Mohamed M Aboelnga, James W Gauld
Screening a library of potential competitive inhibitors against bacterial threonyl-tRNA synthetase: DFT calculations. Journal of biomolecular structure & dynamics (2023)
Rajwinder Kaur, Mohamed M Aboelnga, Dylan J Nikkel, Stacey D Wetmore
The metal dependence of single-metal mediated phosphodiester bond cleavage: a QM/MM study of a multifaceted human enzyme. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Rajwinder Kaur, Dylan J Nikkel, Mohamed M Aboelnga, Stacey D Wetmore
The Impact of DFT Functional, Cluster Model Size, and Implicit Solvation on the Structural Description of Single-Metal-Mediated DNA Phosphodiester Bond Cleavage: The Case Study of APE1. The journal of physical chemistry. B (2022)
Mohamed M Aboelnga
Mechanistic insights into the chemistry of compound I formation in heme peroxidases: quantum chemical investigations of cytochrome c peroxidase. RSC advances 12 (24) (2022)