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RSC Advances|June 10, 2022
Mechanistic insights into the chemistry of compound I formation in heme peroxidases: quantum chemical investigations of cytochrome <i>c</i> peroxidaseMohamed M AboelngaComputers in Biology and Medicine|May 3, 2022
Exploring the structure function relationship of heme peroxidases: Molecular dynamics study on cytochrome c peroxidase variantsMohamed M AboelngaJournal of Molecular Graphics & Modelling|May 31, 2022
Comparative QM/MM study on the inhibition mechanism of β-Hydroxynorvaline to Threonyl-tRNA synthetaseMohamed M Aboelnga, James W GauldJournal of the American Chemical Society|May 4, 2019
Unveiling a Single-Metal-Mediated Phosphodiester Bond Cleavage Mechanism for Nucleic Acids: A Multiscale Computational Investigation of a Human DNA Repair EnzymeMohamed M Aboelnga, Stacey D WetmoreJournal of Biomolecular Structure & Dynamics|November 1, 2023
Screening a library of potential competitive inhibitors against bacterial threonyl-tRNA synthetase: DFT calculationsMohamed M Aboelnga, James W GauldThe Journal of Physical Chemistry. B|June 9, 2017
Roles of the Active Site Zn(II) and Residues in Substrate Discrimination by Threonyl-tRNA Synthetase: An MD and QM/MM InvestigationMohamed M Aboelnga, James W GauldJournal of Biomolecular Structure & Dynamics|January 10, 2024
QM/MM investigation of the discriminatory pre-transfer editing mechanism operated by Lysyl-tRNA synthetaseBogdan F Ion, Mohamed M Aboelnga, James W GauldPhysical Chemistry Chemical Physics : PCCP|September 15, 2017
A water-mediated and substrate-assisted aminoacylation mechanism in the discriminating aminoacyl-tRNA synthetase GlnRS and non-discriminating GluRSMohamed M Aboelnga, John J Hayward, James W GauldAnalytical Methods : Advancing Methods and Applications|June 26, 2026
A smartphone-assisted dual-mode colorimetric sensing system for on-site detection of ciprofloxacin: experimental and DFT insightsSara M Ragab, Elhossein A Moawed, Mohamed M AboelngaThe Journal of Physical Chemistry. B|December 28, 2017
Unraveling the Critical Role Played by <sub>Ado76</sub>2'OH in the Post-Transfer Editing by Archaeal Threonyl-tRNA SynthetaseMohamed M Aboelnga, John J Hayward, James W GauldPageof 4