GRECO, CLAUDIO
GRECO, CLAUDIO
DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations
2022 Ritacca, A; Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Sicilia, E; Greco, C
How general is the effect of the bulkiness of organic ligands on the basicity of metalorganic catalysts? H2-evolving Mo oxides/sulphides as case studies
2022 Rovaletti, A; Ryde, U; Moro, G; Cosentino, U; Greco, C
Calix[4]arene-Based Sensitizers for Host-Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells
2022 Decavoli, C; Boldrini, C; Faroldi, F; Baldini, L; Sansone, F; Ranaudo, A; Greco, C; Cosentino, U; Moro, G; Manfredi, N; Abbotto, A
Evaluation of docking procedures reliability in affitins-partners interactions
2022 Ranaudo, A; Cosentino, U; Greco, C; Moro, G; Bonardi, A; Maiocchi, A; Moroni, E
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments
2022 Ranaudo, A; Greco, C; Moro, G; Zucchi, A; Mattiello, S; Beverina, L; Cosentino, U
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory
2022 Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Greco, C
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems
2022 Vaghi, L; Rizzo, F; Pedrini, J; Mauri, A; Meinardi, F; Cosentino, U; Greco, C; Monguzzi, A; Papagni, A
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry
2022 Arrigoni, F; Rovaletti, A; Bertini, L; Breglia, R; De Gioia, L; Greco, C; Vertemara, J; Zampella, G; Fantucci, P
Computational study on the structural stability of mutated Affitins
2021 Ranaudo, A; Bonardi, A; Cosentino, U; Greco, C; Moro, G; Moroni, E; Maiocchi, A
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis
2021 Schollhammer, P; Elleouet, C; Petillon, F; Arrigoni, F; Greco, C; Hobballah, A; Laurans, M
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters
2021 Rovaletti, A; Greco, C; Ryde, U
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
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation
2021 Arrigoni, F; Zampella, G; De Gioia, L; Greco, C; Bertini, L
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain
2020 Sala, D; Cosentino, U; Ranaudo, A; Greco, C; Moro, G
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions
2020 Arrigoni, F; Bertini, L; Breglia, R; Greco, C; De Gioia, L; Zampella, G
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase?
2020 Caserta, G; Lorent, C; Ciaccafava, A; Keck, M; Breglia, R; Greco, C; Limberg, C; Hildebrandt, P; Cramer, S; Zebger, I; Lenz, O
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion
2020 Arrigoni, F; Rizza, F; Vertemara, J; Breglia, R; Greco, C; Bertini, L; Zampella, G; De Gioia, L
Role of the carbon defects in the catalytic oxygen reduction by graphite nanoparticles: a spectromagnetic, electrochemical and computational integrated approach
2019 Greco, C; Cosentino, U; Pitea, D; Moro, G; Santangelo, S; Patanè, S; D'Arienzo, M; Fiore, M; Morazzoni, F; Ruffo, R
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
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