BRUSCHI, MAURIZIO

BRUSCHI, MAURIZIO  

DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)  

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Risultati 1 - 20 di 116 (tempo di esecuzione: 0.021 secondi).
Titolo Tipologia Data di pubblicazione Autori File
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 01 - Articolo su rivista 2021 Breglia, RaffaellaArrigoni, FedericaSensi, MatteoGreco, ClaudioFantucci, PiercarloDe Gioia, LucaBruschi, Maurizio
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 01 - Articolo su rivista 2021 Bruschi M.Fusi P.Urani C. +
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 01 - Articolo su rivista 2019 Bruschi, M +
Use of alternative methods: From fundamental to industrial research 01 - Articolo su rivista 2019 Urani, CBruschi, M +
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 01 - Articolo su rivista 2019 Rovaletti, ABruschi, MCosentino, UGreco, C +
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 01 - Articolo su rivista 2019 Arrigoni, FedericaBertini, LucaBruschi, MaurizioGreco, ClaudioDe Gioia, LucaZampella, Giuseppe
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 01 - Articolo su rivista 2019 Rovaletti, AnnaBruschi, MaurizioMoro, GiorgioCosentino, UgoGreco, Claudio +
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization 01 - Articolo su rivista 2019 Bruschi, MDe Gioia, L +
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) 99 - Altro 2019 Greco C.Bruschi M.De Gioia L. +
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 01 - Articolo su rivista 2019 Breglia, RaffaellaGreco, ClaudioFantucci, PiercarloDe Gioia, LucaBruschi, Maurizio
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 01 - Articolo su rivista 2019 Arrigoni, FBreglia, RDe Gioia, LBruschi, MFantucci, 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 01 - Articolo su rivista 2019 Rovaletti, ABruschi, MMoro, GCosentino, UGreco, C +
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 03 - Contributo in libro 2018 Breglia, RDe Gioia, LGreco, CBruschi, M
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 01 - Articolo su rivista 2018 Bertini, LArrigoni, FVertemara, JFantucci, PBruschi, MZampella, GDe Gioia, L. +
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 01 - Articolo su rivista 2018 Bertini, LBreglia, RLambrughi, MFantucci, PDe Gioia, LBruschi, M +
Interaction of the H-cluster of FeFe hydrogenase with halides 01 - Articolo su rivista 2018 Sensi, MatteoBruschi, MaurizioGreco, Claudiode Gioia, LucaBertini, Luca +
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 01 - Articolo su rivista 2018 Breglia, RGreco, CFantucci, PDe Gioia, LBruschi, M
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 01 - Articolo su rivista 2017 BREGLIA, RAFFAELLABRUSCHI, MAURIZIOCOSENTINO, UGO RENATODE GIOIA, LUCAGRECO, CLAUDIOMORO, GIORGIO +
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 01 - Articolo su rivista 2017 Breglia, RDe Gioia, LFantucci, PBruschi, M +
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 01 - Articolo su rivista 2017 Bruschi, M +