محمد محمد وهبة منصور أبو النجا

كلية العلوم

البيانات الشخصية

الوظيفة : أستاذ مساعد
القسم : الكيمياء
التخصص :
هاتف العمل : 2403666/057
البريد الإلكتروني : abonga@mans.edu.eg

المقررات الدراسية

الأبحاث العلمية علي موقع الجامعه

1 - عنوان البحث:
An assessment to evaluate the validity of different methods for the description of some corrosion inhibitors
- تحميل البحث
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الأبحاث العلمية من Google Scholar

-	Computational simulation of the molecular structure of some triazoles as inhibitors for the corrosion of metal surface
-	Unveiling a single-metal-mediated phosphodiester bond cleavage mechanism for nucleic acids: a multiscale computational investigation of a human DNA repair enzyme
-	QM/MM investigation to identify the hallmarks of superior PET biodegradation activity of PETase over cutinase
-	Acceptor influence on thiolate sensing by hemicyanine dyes
-	Roles of the active site Zn (II) and residues in substrate discrimination by threonyl-tRNA synthetase: an MD and QM/MM investigation
-	Quantum chemical studies and atomistic simulations of some inhibitors for the corrosion of al surface
-	Enzymatic Post-Transfer Editing Mechanism of E. coli Threonyl-tRNA Synthetase (ThrRS): A Molecular Dynamics (MD) and Quantum Mechanics/Molecular …
-	A water-mediated and substrate-assisted aminoacylation mechanism in the discriminating aminoacyl-tRNA synthetase GlnRS and non-discriminating GluRS
-	Substrate-assisted and enzymatic pretransfer editing of nonstandard amino acids by methionyl-tRNA synthetase
-	An assessment to evaluate the validity of different methods for the description of some corrosion inhibitors
-	Unraveling the Critical Role Played by Ado762′OH in the Post-Transfer Editing by Archaeal Threonyl-tRNA Synthetase
-	The metal dependence of single-metal mediated phosphodiester bond cleavage: a QM/MM study of a multifaceted human enzyme
-	Experimental and computational studies of silver (I) dibenzoylmethane-based complexes, interaction with DNA/RNA/BSA biomolecules, and in vitro cytotoxic activity
-	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 …
-	Comparative QM/MM study on the inhibition mechanism of β-Hydroxynorvaline to Threonyl-tRNA synthetase
-	Novel fluorescent sensor based on triazole-pyridine derivative for selective detection of mercury (II) ions in different real water samples: Experimental and DFT calculations
-	Mechanistic insights into the chemistry of compound I formation in heme peroxidases: quantum chemical investigations of cytochrome c peroxidase
-	Development of efficient fluorescent sensor for the detection of hazard aromatic nitro compounds via N-(1-naphthyl) ethylenediamine: Experimental and DFT studies
-	Exploring the structure function relationship of heme peroxidases: Molecular dynamics study on cytochrome c peroxidase variants
-	Insights from molecular dynamics on substrate binding and effects of active site mutations in Δ1-pyrroline-5-carboxylate dehydrogenase
-	Establishing a substrate-assisted mechanism for the pre-transfer editing in SerRS and IleRS: A QM/QM investigation
-	Palladium (ii), platinum (ii), and silver (i) complexes with 3-acetylcoumarin benzoylhydrazone Schiff base: Synthesis, characterization, biomolecular interactions, cytotoxic …
-	Efficient photo-assisted degradation of wastewater dyes using CdS nanoparticles confined in porous G-C3N4/SiO2 composites
-	Synthesis and characterization of novel Ru (III) complexes of 2‐aminopyrazine: Interaction with biomolecules, antineoplastic activity, and computational investigation
-	Uncovering an effecient binary system as a chemosensor for visual and fluorescence detection of chromium (VI) in water samples
-	Silver Nanoparticles Immobilized on Crosslinked Vinyl Polymer for Catalytic Reduction of Nitrophenol: Experimental and Computational Studies
-	QM/MM investigation of the discriminatory pre-transfer editing mechanism operated by Lysyl-tRNA synthetase
-	Optimization of Photocatalytic Degradation of Rhodamine B and Indigo Carmine Dyes Using Eco‐Friendly Kaolinite‐Silver Oxide Quantum Dots Nanocomposite Under Sunlight Irradiation
-	Luminescent and time-resolved determination of gemifloxacin mesylate in pharmaceutical formulations and spiked blood plasma samples using a lanthanide complex as a probe
-	Screening a library of potential competitive inhibitors against bacterial threonyl-tRNA synthetase: DFT calculations
-	Computational Insights into the High-Fidelity Catalysis of Aminoacyl-tRNA Synthetases
-	Insights from molecular dynamics on substrate binding and effects of active site mutations in-pyrroline-5-carboxylate dehydrogenase
-	The Catalytic Mechanism of Activation by Glutamyl-tRNA Synthetase; A QM-Cluster Study.