| 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 | 45 | 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 | 39 | 2016 |
| 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 | 35 | 2022 |
| 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 | 30 | 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 | 30 | 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 | 24 | 2019 |
| 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 | 21 | 2020 |
| 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 | 21 | 2017 |
| 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 | 16 | 2022 |
| 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 | 14 | 2019 |
| 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 | 13 | 2019 |
| 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 | 11 | 2021 |
| 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 | 9 | 2021 |
| Fragmentation pathways analysis for the gas phase dissociation of protonated carnosine-oxaliplatin complexes I Ritacco, EM Moustafa, E Sicilia, N Russo, T Shoeib Dalton Transactions 44 (10), 4455-4467, 2015 | 9 | 2015 |
| 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 | 8 | 2022 |
| Straightforward synthesis of [Cu (NHC)(alkynyl)] and [Cu (NHC)(thiolato)] complexes (NHC= N-heterocyclic carbene) II Hashim, T Scattolin, NV Tzouras, L Bourda, K Van Hecke, I Ritacco, ... Dalton Transactions 51 (1), 231-240, 2022 | 7 | 2022 |
| Mass Spectrometric and Computational Investigation of the Protonated Carnosine–Carboplatin Complex Fragmentation I Ritacco, E Sicilia, T Shoeib, M Korany, N Russo Inorganic Chemistry 54 (16), 7885-7897, 2015 | 7 | 2015 |
| Engineering of corrosion product-polymer hybrid layers for enhanced CO2 corrosion protection of carbon steel part two: Computational investigation and surface characterisation D Shaikhah, AG Ritacca, I Ritacco, A Matamorose-Veloza, W Taleb, ... Polymer 250, 124776, 2022 | 6 | 2022 |
| Gallium Nitride‐based Materials as Promising Catalysts for CO2 Reduction: A DFT Study on the Effect of CO2 Coverage and the Incorporation of Mg Doping or … I Ritacco, M Farnesi Camellone, L Caporaso, H Detz, V Butera ChemCatChem 15 (2), e202201171, 2023 | 5 | 2023 |
| Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru (II) and Ir (III) anticancer complexes F Ponte, I Ritacco, G Mazzone, N Russo, E Sicilia Inorganica Chimica Acta 470, 325-330, 2018 | 5 | 2018 |
