BRUSCHI, MAURIZIO
BRUSCHI, MAURIZIO
DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster
2021 Breglia, R; Arrigoni, F; Sensi, M; Greco, C; Fantucci, P; De Gioia, L; Bruschi, M
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data
2021 Tesauro, M; Bruschi, M; Filippini, T; D'Alfonso, S; Mazzini, L; Corrado, L; Consonni, M; Vinceti, M; Fusi, P; Urani, C
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding
2019 Aina, R; Dubiela, P; Geiselhart, S; Bublin, M; Bruschi, M; Radauer, C; Nagl, C; Humeniuk, P; Asero, R; Mortz, C; Hafner, C; Hoffmann-Sommergruber, K; Borowski, T
Use of alternative methods: From fundamental to industrial research
2019 Urani, C; Bruschi, M; Casati, S; Gribaldo, L
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase
2019 Rovaletti, A; Bruschi, M; Moro, G; Cosentino, U; Greco, C
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry
2019 Arrigoni, F; Bertini, L; Bruschi, M; Greco, C; De Gioia, L; Zampella, G
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase
2019 Rovaletti, A; Bruschi, M; Moro, G; Cosentino, U; Greco, C; Ryde, U
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization
2019 Bouchard, S; Bruschi, M; De Gioia, L; Le Roy, C; Petillon, F; Schollhammer, P; Talarmin, J
Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster (Nature Chemistry, (2014), 6, 4, (336-342), 10.1038/nchem.1892)
2019 Fourmond, V; Greco, C; Sybirna, K; Baffert, C; Wang, P; Ezanno, P; Montefiori, M; Bruschi, M; Meynial-Salles, I; Soucaille, P; Blumberger, J; Bottin, H; De Gioia, L; Leger, C
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations
2019 Breglia, R; Greco, C; Fantucci, P; De Gioia, L; Bruschi, M
Redox potentials of small inorganic radicals and hexa-aquo complexes of first-row transition metals in water: a dft study based on the grand canonical ensemble
2019 Arrigoni, F; Breglia, R; De Gioia, L; Bruschi, M; Fantucci, P
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases
2019 Rovaletti, A; Bruschi, M; Moro, G; Cosentino, U; Ryde, U; Greco, C
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance
2018 Breglia, R; De Gioia, L; Greco, C; Bruschi, M
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation
2018 Bertini, L; Alberto, M; Arrigoni, F; Vertemara, J; Fantucci, P; Bruschi, M; Zampella, G; De Gioia, L
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations
2018 Bertini, L; Breglia, R; Lambrughi, M; Fantucci, P; De Gioia, L; Borsari, M; Sola, M; Bortolotti, C; Bruschi, M
Interaction of the H-cluster of FeFe hydrogenase with halides
2018 del Barrio, M; Sensi, M; Fradale, L; Bruschi, M; Greco, C; de Gioia, L; Bertini, L; Fourmond, V; Léger, C
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site
2018 Breglia, R; Greco, C; Fantucci, P; De Gioia, L; Bruschi, M
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen
2017 Breglia, R; Bruschi, M; Cosentino, U; DE GIOIA, L; Greco, C; Miyake, T; Moro, G
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation
2017 Magrì, A; Tabbì, G; Breglia, R; De Gioia, L; Fantucci, P; Bruschi, M; Bonomo, R; La Mendola, D
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations
2017 Giorio, C; Campbell, S; Bruschi, M; Archibald, A; Kalberer, M