| Cation− π and π–π interactions in aqueous solution studied using polarizable potential models EA Orabi, G Lamoureux Journal of chemical theory and computation 8 (1), 182-193, 2012 | 79 | 2012 |
| Ammonium transporters achieve charge transfer by fragmenting their substrate S Wang, EA Orabi, S Baday, S Bernèche, G Lamoureux Journal of the American Chemical Society 134 (25), 10419-10427, 2012 | 68 | 2012 |
| Twisted intramolecular charge transfer (TICT) controlled by dimerization: an overlooked piece of the TICT puzzle AM El-Zohry, EA Orabi, M Karlsson, B Zietz The Journal of Physical Chemistry A 125 (14), 2885-2894, 2021 | 47 | 2021 |
| Conducting copolymers nanocomposite coatings with aggregation-controlled luminescence and efficient corrosion inhibition properties KI Aly, O Younis, MH Mahross, EA Orabi, M Abdel-Hakim, O Tsutsumi, ... Progress in Organic Coatings 135, 525-535, 2019 | 44 | 2019 |
| Computational investigation of the structure and antioxidant activity of some pyrazole and pyrazolone derivatives EA Orabi, MAA Orabi, MH Mahross, M Abdel-Hakim Journal of Saudi Chemical Society 22 (6), 705-714, 2018 | 41 | 2018 |
| Mechanism of NH4+ recruitment and NH3 transport in Rh proteins S Baday, EA Orabi, S Wang, G Lamoureux, S Bernèche Structure 23 (8), 1550-1557, 2015 | 35 | 2015 |
| Cation− π interactions between quaternary ammonium ions and amino acid aromatic groups in aqueous solution EA Orabi, G Lamoureux The Journal of Physical Chemistry B 122 (8), 2251-2260, 2018 | 30 | 2018 |
| Molecular modelling of cation–π interactions G Lamoureux, EA Orabi Molecular Simulation 38 (8-9), 704-722, 2012 | 29 | 2012 |
| Biologically-active heterocyclic molecules with aggregation-induced blue-shifted emission and efficient luminescence both in solution and solid states O Younis, MS Tolba, EA Orabi, AM Kamal, R Hassanien, O Tsutsumi, ... Journal of Photochemistry and Photobiology A: Chemistry 400, 112642, 2020 | 28 | 2020 |
| Sulfur‐aromatic interactions: modeling cysteine and methionine binding to tyrosinate and histidinium ions to assess their influence on protein electron transfer EA Orabi, AM English Israel Journal of Chemistry 56 (9-10), 872-885, 2016 | 28 | 2016 |
| Molecular dynamics investigation of alkali metal ions in liquid and aqueous ammonia EA Orabi, G Lamoureux Journal of Chemical Theory and Computation 9 (5), 2324-2338, 2013 | 27 | 2013 |
| Synthesis of novel biocompatible thienopyrimidine chromophores with aggregation-induced emission sensitive to molecular aggregation M Ahmed, O Younis, EA Orabi, AM Sayed, AM Kamal El-Dean, ... ACS omega 5 (46), 29988-30000, 2020 | 26 | 2020 |
| Modeling protein S–aromatic motifs reveals their structural and redox flexibility EA Orabi, AM English The Journal of Physical Chemistry B 122 (14), 3760-3770, 2018 | 24 | 2018 |
| Antiviral and antioxidant activities of flavonoids of Ficus virens: Experimental and theoretical investigations MAA Orabi, EA Orabi Journal of Pharmacognosy and Phytochemistry 5 (3), 120-128, 2016 | 24 | 2016 |
| Polarizable interaction model for liquid, supercritical, and aqueous ammonia EA Orabi, G Lamoureux Journal of Chemical Theory and Computation 9 (4), 2035-2051, 2013 | 24 | 2013 |
| Aggregation-induced emission with white, green, or blue luminescence from biologically-active indole derivatives O Younis, EA Orabi, AM Kamal, M Sayed, R Hassanien, RL Davis, ... Optical Materials 100, 109713, 2020 | 23 | 2020 |
| A simple additive potential model for simulating hydrogen peroxide in chemical and biological systems EA Orabi, AM English Journal of chemical theory and computation 14 (5), 2808-2821, 2018 | 22 | 2018 |
| New molecular-mechanics model for simulations of hydrogen fluoride in chemistry and biology EA Orabi, JD Faraldo-Gómez Journal of chemical theory and computation 16 (8), 5105-5126, 2020 | 21 | 2020 |
| Simulation of liquid and supercritical hydrogen sulfide and of alkali ions in the pure and aqueous liquid EA Orabi, G Lamoureux Journal of Chemical Theory and Computation 10 (8), 3221-3235, 2014 | 19 | 2014 |
| Inter/intramolecular hydrogen bonding mediate miscible blend formation between near-perfect alternating Poly (styrene-alt-hydroxyphenylmaleimide) copolymers and Poly (vinyl … WT Du, EA Orabi, MG Mohamed, SW Kuo Polymer 219, 123542, 2021 | 17 | 2021 |
