Stebėti
Mario Prejanò
Mario Prejanò
Patvirtintas el. paštas unical.it
Pavadinimas
Cituota
Cituota
Metai
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
472017
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
382020
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
372020
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
242017
Capsaicin, a Powerful •OH-Inactivating Ligand
A Pérez-González, M Prejanò, N Russo, T Marino, A Galano
Antioxidants 9 (12), 1247, 2020
232020
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
222018
Oenin and quercetin copigmentation: Highlights from density functional theory
Y Li, M Prejanò, M Toscano, N Russo
Frontiers in Chemistry 6, 245, 2018
222018
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
192021
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
172020
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
172019
The Catalytic Mechanism of Human Transketolase
M Prejanò, FE Medina, PA Fernandes, N Russo, MJ Ramos, T Marino
ChemPhysChem 20 (21), 2881-2886, 2019
162019
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
162018
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
152022
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
152022
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
142022
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
142020
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
122020
On the catalytic activity of the engineered coiled-coil heptamer mimicking the hydrolase enzymes: insights from a computational study
M Prejanò, I Romeo, N Russo, T Marino
International Journal of Molecular Sciences 21 (12), 4551, 2020
122020
Antioxidant properties of the Vam3 derivative of resveratrol
S Ahmadi, T Marino, M Prejanò, N Russo, M Toscano
Molecules 23 (10), 2446, 2018
122018
Quantum mechanical DFT elucidation of CO2 catalytic conversion mechanisms: Three examples
G Mazzone, T Marino, P Piazzetta, F Ponte, M Prejanò, E Sicilia, ...
International Journal of Quantum Chemistry 118 (9), e25572, 2018
122018
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Straipsniai 1–20