Gamal A. H. Mekhemer

Materials Science · Physical Sciences

25h-index1.8kcitations89works2.12yr avg
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Research Topics

Catalytic Processes in Materials Science(25), Catalysis and Oxidation Reactions(23), Zeolite Catalysis and Synthesis(16), Catalysis and Hydrodesulfurization Studies(12), Mesoporous Materials and Catalysis(10)

Publications89 total

Surface chemistry and topography of partially reduced cobalt oxide catalysts in H2O2 decomposition
Materials Today Communications·2026Open Access
Adsorption behavior of steroid estrogens on graphene and borophene nanosheets as potential sensors: A DFT investigation
Chemical Physics Letters·2025
Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations
PLoS ONE·2025· 1 citedOpen Access
pH modulates amyloid- <i>β</i> 42 conformation in lipid membranes: evidence from circular dichroism, Raman spectroscopy, and molecular dynamics simulations
Journal of Biomolecular Structure and Dynamics·2025
Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study
ChemistryOpen·2025· 1 citedOpen Access
In Silico Mining of the Streptome Database for Hunting Putative Candidates to Allosterically Inhibit the Dengue Virus (Serotype 2) RdRp
Pharmaceuticals·2025Open Access
In‐Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment
ChemistryOpen·2025· 2 citedOpen Access
Adsorption Features of Toxic Pnictogen Hydrides over Pristine and C/Be‐Doped Borophene Nanosheets as Potential Sensors: A DFT Investigation
ChemistrySelect·2025· 1 cited
Hunting potential SIRT2 inhibitors towards cancer treatment: Drug repurposing, molecular dynamics, and binding energy computations
Biochemical and Biophysical Research Communications·2025· 2 cited
Potential P-glycoprotein (P-gp) inhibitors from SuperDRUG2 database toward reversing multidrug resistance in cancer treatment: Database mining, molecular dynamics, and binding energy estimations
Journal of Molecular Graphics and Modelling·2025· 5 cited
Exploring the Adsorption Features of Furan and 1,<i>n</i>‐Dioxane as Environmental Toxins on Two‐Dimensional RuC Nanosheet: A DFT Study
ChemistryOpen·2025· 4 citedOpen Access
Surface chemistry and topography of partially reduced cobalt oxide catalysts in H2O2 decomposition
SSRN Electronic Journal·2025Open Access
Pristine and Alkaline Earth Metal‐Decorated C <sub>24</sub> N <sub>24</sub> Fullerenes as Potential Sensors for Halomethanes: A Comparative DFT Investigation
ChemistrySelect·2025Open Access
<i>In Silico</i> Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations
Journal of Tropical Medicine·2025Open Access
Two-dimensional RuC nanosheet as potential sensor for toxic cyanogen halides (NCX; X  = H, F, Cl, Br, and I): A DFT study
Chemical Physics Letters·2024· 3 cited
On the sensitivity of pristine and alkaline earth metal-decorated porphyrin-like porous C24N24 fullerenes toward dichlorosilane toxic gas: A DFT study
Chemical Physics·2024· 2 cited
Benzothiazinone analogs as Anti-Mycobacterium tuberculosis DprE1 irreversible inhibitors: Covalent docking, validation, and molecular dynamics simulations
PLoS ONE·2024· 6 citedOpen Access
Repurposing of drug candidates against Epstein–Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study
PLoS ONE·2024· 5 citedOpen Access
Exploring marine natural products for identifying putative candidates as EBNA1 inhibitors: An insight from molecular docking, molecular dynamics, and DFT computations
Biochemical and Biophysical Research Communications·2024· 7 cited
Natural Products from Brazilian Biodiversity Explored as Anti-EBV Drug Candidates: <i>In-Silico</i> Database Mining, Docking Computations, Molecular Dynamics and DFT Calculations
Journal of Computational Biophysics and Chemistry·2024· 3 cited
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Frequent Co-authors

Mohamed I. Zaki(20), Mahmoud A. A. Ibrahim(15), Ahmed M. Shawky(9), Peter A. Sidhom(8), Alaa H. M. Abdelrahman(8), Abdallah I.M. Rabee(6), Nasr E. Fouad(6), S.A.A. Mansour(5), Amna H. M. Mahmoud(5), Nayra A. M. Moussa(5), Khlood A. A. Abdeljawaad(5), D. Spielbauer(4), Shaban R. M. Sayed(4), Eslam Dabbish(4), Tamer Shoeib(4), Mahmoud Moustafa(4), Mohamed A. M. Atia(4), Mahmoud E. S. Soliman(4), Helmut Knözinger(3), G.A.M. Hussein(3)