| The effects of the metal ion substitution into the active site of metalloenzymes: A theoretical insight on some selected cases M Prejanò, ME Alberto, N Russo, M Toscano, T Marino Catalysts 10 (9), 1038, 2020 | 57 | 2020 |
| How Can Methanol Dehydrogenase from Methylacidiphilum fumariolicum Work with the Alien CeIII Ion in the Active Center? A Theoretical Study M Prejanò, T Marino, N Russo Chemistry–A European Journal 23 (36), 8652-8657, 2017 | 52 | 2017 |
| Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework M Mon, R Bruno, S Sanz-Navarro, C Negro, J Ferrando-Soria, L Bartella, ... Nature communications 11 (1), 3080, 2020 | 48 | 2020 |
| Reaction mechanism of low-spin iron (III)-and cobalt (III)-containing nitrile hydratases: a quantum mechanics investigation M Prejano, T Marino, C Rizzuto, JC Madrid Madrid, N Russo, M Toscano Inorganic Chemistry 56 (21), 13390-13400, 2017 | 30 | 2017 |
| Capsaicin, a Powerful •OH-Inactivating Ligand A Pérez-González, M Prejanò, N Russo, T Marino, A Galano Antioxidants 9 (12), 1247, 2020 | 27 | 2020 |
| Oenin and quercetin copigmentation: Highlights from density functional theory Y Li, M Prejanò, M Toscano, N Russo Frontiers in Chemistry 6, 245, 2018 | 27 | 2018 |
| Exploring the structure–performance relationship of sulfonated polysulfone proton exchange membrane by a combined computational and experimental approach C Simari, M Prejanò, E Lufrano, E Sicilia, I Nicotera Polymers 13 (6), 959, 2021 | 25 | 2021 |
| QM cluster or QM/MM in computational enzymology: The test case of LigW-decarboxylase M Prejanò, T Marino, N Russo Frontiers in Chemistry 6, 249, 2018 | 24 | 2018 |
| Primary and secondary antioxidant properties of scutellarin and scutellarein in water and lipid-like environments: A theoretical investigation M Spiegel, T Marino, M Prejanò, N Russo Journal of Molecular Liquids 366, 120343, 2022 | 20 | 2022 |
| How the destabilization of a reaction intermediate affects enzymatic efficiency: the case of human Transketolase M Prejanò, FE Medina, MJ Ramos, N Russo, PA Fernandes, T Marino ACS catalysis 10 (4), 2872-2881, 2020 | 19 | 2020 |
| The Catalytic Mechanism of Human Transketolase M Prejanò, FE Medina, PA Fernandes, N Russo, MJ Ramos, T Marino ChemPhysChem 20 (21), 2881-2886, 2019 | 19 | 2019 |
| On the scavenging ability of scutellarein against the OOH radical in water and Lipid-like environments: A Theoretical study M Spiegel, T Marino, M Prejanò, N Russo Antioxidants 11 (2), 224, 2022 | 18 | 2022 |
| How lanthanide ions affect the addition–elimination step of methanol dehydrogenases M Prejanò, N Russo, T Marino Chemistry–A European Journal 26 (49), 11334-11339, 2020 | 18 | 2020 |
| Why hydroxy-proline improves the catalytic power of the peptidoglycan N-deacetylase enzyme: Insight from theory M Prejanò, I Romeo, L Sgrizzi, N Russo, T Marino Physical Chemistry Chemical Physics 21 (42), 23338-23345, 2019 | 18 | 2019 |
| On the inhibition mechanism of glutathione transferase P1 by piperlongumine. Insight from theory M Prejanò, T Marino, N Russo Frontiers in Chemistry 6, 606, 2018 | 18 | 2018 |
| Oenin/syringic acid copigmentation: Insights from a theoretical study Y Li, M Prejanò, M Toscano, N Russo Frontiers in Chemistry 7, 579, 2019 | 17 | 2019 |
| Antioxidant and copper-chelating power of new molecules suggested as multiple target agents against Alzheimer's disease. A theoretical comparative study M Spiegel, T Marino, M Prejanò, N Russo Physical Chemistry Chemical Physics 24 (26), 16353-16359, 2022 | 16 | 2022 |
| Hydration of aromatic nitriles catalyzed by Mn-OH complexes: a rationalization from quantum chemical investigations M Prejanò, ME Alberto, N Russo, T Marino Organometallics 39 (18), 3352-3361, 2020 | 14 | 2020 |
| Reaction mechanism of human PAICS elucidated by quantum chemical calculations M Prejanò, J Skerlova, P Stenmark, F Himo Journal of the American Chemical Society 144 (31), 14258-14268, 2022 | 13 | 2022 |
| Insights into the catalytic mechanism of domains CD1 and CD2 in histone deacetylase 6 from quantum calculations M PrejanO, P Vidossich, N Russo, M De Vivo, T Marino ACS Catalysis 11 (5), 3084-3093, 2021 | 12 | 2021 |
Tiziana Marino, Professore ordinario,...Dipartimento di Chimica e Tecnologie Chimiche, Università della CalabriaAdresse e-mail validée de unical.it
