| Comprehensive in vitro characterization of PD-L1 small molecule inhibitors A Ganesan, M Ahmed, I Okoye, E Arutyunova, D Babu, WL Turnbull, ... Scientific reports 9 (1), 12392, 2019 | 127 | 2019 |
| Human PD-1 binds differently to its human ligands: a comprehensive modeling study C Viricel, M Ahmed, K Barakat Journal of Molecular Graphics and Modelling 57, 131-142, 2015 | 56 | 2015 |
| Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods S Kassem, M Ahmed, S El-Sheikh, KH Barakat Journal of Molecular Graphics and Modelling 62, 105-117, 2015 | 43 | 2015 |
| In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2 M Ahmed, MM Sadek, KA Abouzid, F Wang Journal of Molecular Graphics and Modelling 44, 220-231, 2013 | 42 | 2013 |
| Design, synthesis, biological evaluation and dynamics simulation of indazole derivatives with antiangiogenic and antiproliferative anticancer activity NMY Elsayed, RAT Serya, MF Tolba, M Ahmed, K Barakat, ... Bioorganic Chemistry 82, 340-359, 2019 | 40 | 2019 |
| Targeting the Achilles heel of the hepatitis B virus: a review of current treatments against covalently closed circular DNA M Ahmed, F Wang, A Levin, C Le, Y Eltayebi, M Houghton, L Tyrrell, ... Drug discovery today 20 (5), 548-561, 2015 | 38 | 2015 |
| Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents MM Sadek, RA Serrya, AHN Kafafy, M Ahmed, F Wang, KAM Abouzid Journal of Enzyme Inhibition and Medicinal Chemistry 29 (2), 215-222, 2014 | 38 | 2014 |
| Modeling the human Nav1.5 sodium channel: structural and mechanistic insights of ion permeation and drug blockade M Ahmed, H Jalily Hasani, A Ganesan, M Houghton, K Barakat Drug Design, Development and Therapy, 2301-2324, 2017 | 35 | 2017 |
| Discovery of Novel Peptidomimetics as Irreversible CHIKV Ns P 2 Protease Inhibitors Using Quantum Mechanical‐Based Ligand Descriptors EM El‐labbad, MAH Ismail, DA Abou Ei Ella, M Ahmed, F Wang, ... Chemical Biology & Drug Design 86 (6), 1518-1527, 2015 | 29 | 2015 |
| The too many faces of PD-L1: a comprehensive conformational analysis study M Ahmed, K Barakat Biochemistry 56 (40), 5428-5439, 2017 | 25 | 2017 |
| Assessment of new anti-HER2 ligands using combined docking, QM/MM scoring and MD simulation M Ahmed, MM Sadek, RA Serrya, AHN Kafafy, KA Abouzid, F Wang Journal of Molecular Graphics and Modelling 40, 91-98, 2013 | 25 | 2013 |
| β-Caryophyllene induces apoptosis and inhibits angiogenesis in colorectal cancer models SS Dahham, Y Tabana, M Asif, M Ahmed, D Babu, LE Hassan, ... International Journal of Molecular Sciences 22 (19), 10550, 2021 | 24 | 2021 |
| Photoelectron spectra and electronic structures of the radiosensitizer nimorazole and related compounds L Feketeová, O Plekan, M Goonewardane, M Ahmed, AL Albright, J White, ... The Journal of Physical Chemistry A 119 (39), 9986-9995, 2015 | 23 | 2015 |
| Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel H Jalily Hasani, A Ganesan, M Ahmed, KH Barakat PLoS One 13 (2), e0191905, 2018 | 21 | 2018 |
| Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid M Ahmed, A Ganesan, F Wang, V Feyer, O Plekan, KC Prince The Journal of Physical Chemistry A 116 (33), 8653-8660, 2012 | 19 | 2012 |
| In silico investigation of lactone and thiolactone inhibitors in bacterial quorum sensing using molecular modeling M Ahmed, S Bird, F Wang, EA Palombo arXiv preprint arXiv:1305.3691, 2013 | 18 | 2013 |
| Adsorption of cytosine and AZA derivatives of cytidine on Au single crystal surfaces M Iakhnenko, V Feyer, N Tsud, O Plekan, F Wang, M Ahmed, ... The Journal of Physical Chemistry C 117 (36), 18423-18433, 2013 | 17 | 2013 |
| A ‘deep dive’into the SARS-Cov-2 polymerase assembly: identifying novel allosteric sites and analyzing the hydrogen bond networks and correlated dynamics K Barakat, M Ahmed, Y Tabana, M Ha Journal of Biomolecular Structure and Dynamics 40 (19), 9443-9463, 2022 | 16 | 2022 |
| Towards discovery of novel scaffold with potent antiangiogenic activity; design, synthesis of pyridazine based compounds, impact of hinge interaction, and accessibility of … MY Jaballah, RAT Serya, N Saad, SM Khojah, M Ahmed, K Barakat, ... Journal of Enzyme Inhibition and Medicinal Chemistry 34 (1), 1573-1589, 2019 | 14 | 2019 |
| A comprehensive structural model for the human KCNQ1/KCNE1 ion channel HJ Hasani, M Ahmed, K Barakat Journal of Molecular Graphics and Modelling 78, 26-47, 2017 | 14 | 2017 |
