GRECO, CLAUDIO
GRECO, CLAUDIO
DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1
2005 Greco, C; Fantucci, P; DE GIOIA, L
Identification and in silico analysis of a new group of double-histone fold-containing proteins
2005 Greco, C; Sacco, E; Vanoni, M; DE GIOIA, L
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states
2006 Bertini, L; Greco, C; DE GIOIA, L; Fantucci, P
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation.
2006 Zampella, G; Greco, C; Fantucci, P; DE GIOIA, L
Genetic analysis of polynucleotide phosphorylase structure and functions
2007 Briani, F; Del Favero, M; Capizzuto, R; Consonni, C; Zangrossi, S; Greco, C; DE GIOIA, L; Tortora, P; Deho, G
Mechanism of Fe-only hydrogenases studied by QM/MMn methods
2007 Greco, C; DE GIOIA, L; Bruschi, M; Ryde, U
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example
2007 Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Greco, C; Zampella, G
Influence of a large sigma-donor ligand on structural and catalytic properties of di-iron compounds related to the active site of Fe-hydrogenase - A DFT investigation
2007 Greco, C; Bruschi, M; Fantucci, P; DE GIOIA, L
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study
2007 Schneider, C; Zampella, G; Greco, C; Pecoraro, V; DE GIOIA, L
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site
2007 Greco, C; Zampella, G; Bertini, L; Bruschi, M; Fantucci, P; DE GIOIA, L
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide
2007 Greco, C; Bruschi, M; Heimdal, J; Fantucci, P; DE GIOIA, L; Ryde, U
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site
2007 Greco, C
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases
2007 Greco, C; Bruschi, M; DE GIOIA, L; Ryde, U
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation
2008 Bruschi, M; Greco, C; Fantucci, P; DE GIOIA, L
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site
2008 Bruschi, M; Greco, C; Zampella, G; Ryde, U; Pickett, C; DE GIOIA, L
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation
2009 Bruschi, M; Zampella, G; Greco, C; Bertini, L; Fantucci, P; DE GIOIA, L
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase
2009 Joly, L; Antoine, R; Albrieux, F; Ballivian, R; Broyer, M; Chirot, F; Lemoine, J; Dugourd, P; Greco, C; Mitric, R; Bonacic Koutecky, V
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor
2009 Greco, C; Bruschi, M; Fantucci, P; DE GIOIA, L
Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: Hints for the rational design of synthetic catalysts
2009 Bruschi, M; Greco, C; Kaukonen, M; Fantucci, P; Ryde, U; DE GIOIA, L
DFT/TDDFT Exploration of the Potential Energy Surfaces of the Ground State and Excited States of Fe2(S2C3H6)(CO)6: A Simple Functional Model of the [FeFe] Hydrogenase Active Site
2009 Bertini, L; Greco, C; DE GIOIA, L; Fantucci, P