| Density Functional Theory Study and Photocatalytic Activity of ZnO/N-Doped TiO2 Heterojunctions W Navarra, I Ritacco, O Sacco, L Caporaso, M Farnesi Camellone, ... The Journal of Physical Chemistry C 126 (16), 7000-7011, 2022 | 51 | 2022 |
| DFT investigation of the mechanism of action of organoiridium (III) complexes as anticancer agents I Ritacco, N Russo, E Sicilia Inorganic Chemistry 54 (22), 10801-10810, 2015 | 48 | 2015 |
| Investigation of the inertness to hydrolysis of platinum (IV) prodrugs I Ritacco, G Mazzone, N Russo, E Sicilia Inorganic Chemistry 55 (4), 1580-1586, 2016 | 43 | 2016 |
| Recent advances in computational design of potent aromatase inhibitors: open-eye on endocrine-resistant breast cancers A Spinello, I Ritacco, A Magistrato Expert Opinion on Drug Discovery 14 (10), 1065-1076, 2019 | 32 | 2019 |
| The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation A Spinello, I Ritacco, A Magistrato Catalysts 9 (1), 81, 2019 | 32 | 2019 |
| Post-translational regulation of CYP450s metabolism as revealed by all-atoms simulations of the aromatase enzyme I Ritacco, A Spinello, E Ippoliti, A Magistrato Journal of chemical information and modeling 59 (6), 2930-2940, 2019 | 26 | 2019 |
| Hydrolysis in acidic environment and degradation of satraplatin: a joint experimental and theoretical investigation I Ritacco, M Al Assy, MK Abd El-Rahman, SA Fahmy, N Russo, T Shoeib, ... Inorganic Chemistry 56 (10), 6013-6026, 2017 | 26 | 2017 |
| Excellent performance of amoxicillin and potassium iodide as hybrid corrosion inhibitor for mild steel in HCl environment: Adsorption characteristics and mechanism insight B Ran, Y Qiang, X Liu, L Guo, AG Ritacca, I Ritacco, X Li Journal of Materials Research and Technology 29, 5402-5411, 2024 | 24 | 2024 |
| Tailoring poly (2-ethyl-2-oxazoline) towards effective mitigation of chloride-induced dissolution of S235JR steel: The synergistic contributions of potassium iodide and … MM Solomon, SA Umoren, AG Ritacca, I Ritacco, D Hu, L Guo Journal of Molecular Liquids 396, 123935, 2024 | 22 | 2024 |
| All-atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner CYP450s I Ritacco, A Saltalamacchia, A Spinello, E Ippoliti, A Magistrato The journal of physical chemistry letters 11 (4), 1189-1193, 2020 | 22 | 2020 |
| DFT Investigation of Substitutional and Interstitial Nitrogen-Doping Effects on a ZnO(100)–TiO2(101) Heterojunction I Ritacco, O Sacco, L Caporaso, MF Camellone The Journal of Physical Chemistry C 126 (6), 3180-3193, 2022 | 19 | 2022 |
| Reverse micelle strategy for effective substitutional Fe-doping in small-sized CeO2 nanocrystals: Assessment of adsorption and photodegradation efficiency of ibuprofen under … O Tammaro, R Paparo, M Chianese, I Ritacco, L Caporaso, ... Chemical Engineering Journal 479, 147909, 2024 | 18 | 2024 |
| Spontaneous production of ultrastable reactive oxygen species on titanium oxide surfaces modified with organic ligands I Ritacco, C Imparato, L Falivene, L Cavallo, A Magistrato, L Caporaso, ... Advanced Materials Interfaces 8 (17), 2100629, 2021 | 18 | 2021 |
| Unraveling the impact of cysteine-to-serine mutations on the structural and functional properties of Cu (I)-binding proteins M Pavlin, Z Qasem, H Sameach, L Gevorkyan-Airapetov, I Ritacco, ... International journal of molecular sciences 20 (14), 3462, 2019 | 18 | 2019 |
| Indirect daylight oxidative degradation of polyethylene microplastics by a bio-waste modified TiO2-based material P Amato, M Fantauzzi, F Sannino, I Ritacco, G Santoriello, MF Camellone, ... Journal of Hazardous Materials 463, 132907, 2024 | 14 | 2024 |
| The pivotal role of MBD4–ATP7B in the human Cu(i) excretion path as revealed by EPR experiments and all-atom simulations Z Qasem, M Pavlin, I Ritacco, L Gevorkyan-Airapetov, A Magistrato, ... Metallomics 11 (7), 1288-1297, 2019 | 14 | 2019 |
| A boron-containing compound acting on multiple targets against Alzheimer’s disease. Insights from ab initio and molecular dynamics simulations AG Ritacca, I Ritacco, E Dabbish, N Russo, G Mazzone, E Sicilia Journal of Chemical Information and Modeling 61 (7), 3397-3410, 2021 | 13 | 2021 |
| Effect of indole-2-carboxylic acid on the self-corrosion and discharge activity of aluminum alloy anode in alkaline al–air battery L Guo, Y Huang, AG Ritacca, K Wang, I Ritacco, Y Tan, Y Qiang, ... Molecules 28 (10), 4193, 2023 | 11 | 2023 |
| A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope BP Maliszewski, I Ritacco, M Beliš, II Hashim, NV Tzouras, L Caporaso, ... Dalton Transactions 51 (16), 6204-6211, 2022 | 11 | 2022 |
| Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study E Dabbish, S Scoditti, MNI Shehata, I Ritacco, MAA Ibrahim, T Shoeib, ... Journal of Computational Chemistry 45 (10), 663-670, 2024 | 10 | 2024 |
