Sfoglia per Autore
Can Fused Thiophene-Pyrrole Containing Rings act as Possible New Electrochromic Dyes ? A Computational Prediction
2016-01-01 DE SIMONE, Bruna Clara; Marino, Tiziana; Prejanò, M; Russo, Nino
Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation
2017-01-01 Prejano', Mario; Marino, Tiziana; Carmen, Rizzuto; Josè Carlos Madrid Madrid, ; Russo, Nino; Toscano, Marirosa
How can work methanol dehydrogenase from Methylacidiphilum fumariolicum with the alien Ce(III) ion in the active center? A theoretical study
2017-01-01 Marino, T.; Prejanò, M.; Russo, N.
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples
2018-01-01 Mazzone, Gloria; Marino, Tiziana; Piazzetta, Paolo; Ponte, Fortuna; Prejanò, Mario; Sicilia, Emilia; Toscano, Marirosa
Oenin and quercetin copigmentation: Highlights from density functional theory
2018-01-01 Li, Y.; Prejano, M.; Toscano, M.; Russo, N.
Antioxidant properties of the Vam3 derivative of resveratrol
2018-01-01 Ahmadi, Seyedmohammad; Marino, Tiziana; Prejanò, Mario; Russo, Nino; Toscano, Marirosa
On the inhibition mechanism of glutathione transferase P1 by piperlongumine. Insight from theory
2018-01-01 Prejanò, Mario; Marino, Tiziana; Russo, Nino
QM cluster or QM/MM in computational enzymology: The test case of LigW-decarboxylase
2018-01-01 Prejanò, Mario; Marino, Tiziana; Russo, Nino
Oenin/Syringic Acid Copigmentation: Insights From a Theoretical Study
2019-01-01 Li, Y.; Prejano, M.; Toscano, M.; Russo, N.
Why hydroxy-proline improves the catalytic power of the peptidoglycan: N -deacetylase enzyme: Insight from theory
2019-01-01 Prejano, M.; Romeo, I.; Sgrizzi, L.; Russo, N.; Marino, T.
How metal coordination in the Ca-, Ce-, and Eu-containing methanol dehydrogenase enzymes can influence the catalysis: A theoretical point of view
2019-01-01 Marino, T.; Prejano, M.; Russo, N.
The Catalytic Mechanism of Human Transketolase
2019-01-01 Prejano, M.; Medina, F. E.; Fernandes, P. A.; Russo, N.; Ramos, M. J.; Marino, T.
“How Metal Coordination in the Ca-, Ce-, and Eu-Containing Methanol Dehydrogenase Enzymes can Influence the Catalysis: A Theoretical Point of View”
2019-01-01 Marino, Tiziana; Prejanò, Mario; Russo, Nino
Capsaicin, a Powerful •OH-Inactivating Ligand
2020-01-01 Pérez-González, Adriana; Prejanò, Mario; Russo, Nino; Marino, Tiziana; Galano, Annia
The Hydration of Aromatic Nitriles Catalyzed by Mn-OH Complexes: a Rationalization from Quantum Chemical Investigations
2020-01-01 Prejano', Mario; Alberto, Marta Erminia; Russo, Nino; Marino, Tiziana
Effect of Copper on the Mitochondrial Carnitine/Acylcarnitine Carrier Via Interaction with Cys136 and Cys155. Possible Implications in Pathophysiology
2020-01-01 Giangregorio, Nicola; Tonazzi, Annamaria; Console, Lara; Prejanò, Mario; Marino, Tiziana; Russo, Nino; Indiveri, Cesare
How the lanthanide ions affect the addtion-elimination step of methanol dehydrogenases
2020-01-01 Prejano', Mario; Russo, Nino; Marino, Tiziana
On the Catalytic Activity of the Engineered Coiled-Coil Heptamer Mimicking the Hydrolase Enzymes: Insights from a Computational Study
2020-01-01 Prejanò, M.; Romeo, I.; Russo, N.; Marino, T.
The effects of the metal ion substitution into the active site of metalloenzymes: A theoretical insight on some selected cases
2020-01-01 Prejano', Mario; Alberto, Marta Erminia; Russo, Nino; Toscano, Marirosa; Marino, Tiziana
Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework
2020-01-01 Mon, M.; Bruno, R.; Sanz-Navarro, S.; Negro, C.; Ferrando-Soria, J.; Bartella, L.; Di Donna, L.; Prejano, M.; Marino, T.; Leyva-Perez, A.; Armentano, D.; Pardo, E.
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