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In Silico Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations by Mahmoud A. A. Ibrahim, Alaa M. A. Hassan, Alaa H. M. Abdelrahman, Gamal A. H. Mekhemer, Peter A. Sidhom, Shaban R. M. Sayed, Ashraf M. M. Abdelbacki, Mohamed-Elamir F. Hegazy
Published 2025-01-01Get full text
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Exploring the Adsorption Features of Furan and 1,n‐Dioxane as Environmental Toxins on Two‐Dimensional RuC Nanosheet: A DFT Study by Amna H. M. Mahmoud, Muhrail E. S. Aziz, Dr. Abdallah I. M. Rabee, Dr. Mohamed A. El‐Tayeb, Prof. Dr. Gamal A. H. Mekhemer, Prof. Dr. Tamer Shoeib, Prof. Dr. Mahmoud A. A. Ibrahim
Published 2025-06-01Get full text
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Benzothiazinone analogs as Anti-Mycobacterium tuberculosis DprE1 irreversible inhibitors: Covalent docking, validation, and molecular dynamics simulations. by Mahmoud A A Ibrahim, Doaa G M Mahmoud, Alaa H M Abdelrahman, Khlood A A Abdeljawaad, Gamal A H Mekhemer, Tamer Shoeib, Mohamed A El-Tayeb, Peter A Sidhom, Paul W Paré, Mohamed-Elamir F Hegazy
Published 2024-01-01Get full text
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