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Biochemical and Biophysical Research Communications|August 12, 2009
Structure prediction and functional analysis of KdsD, an enzyme involved in lipopolysaccharide biosynthesisSilvia Sommaruga, Luca De Gioia, Paolo Tortora, et al.The Journal of Physical Chemistry. A|April 22, 2009
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 siteLuca Bertini, Claudio Greco, Luca De Gioia, et al.Dalton Transactions (Cambridge, England : 2003)|May 24, 2023
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesiumAnna Rovaletti, Luca De Gioia, Claudio Greco, et al.Journal of the American Chemical Society|September 22, 2005
DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional modelsGiuseppe Zampella, Maurizio Bruschi, Piercarlo Fantucci, et al.Inorganic Chemistry|August 20, 2013
Excited state properties of diiron dithiolate hydrides: implications in the unsensitized photocatalysis of H2 evolutionLuca Bertini, Piercarlo Fantucci, Luca De Gioia, et al.Plos One|September 15, 2011
Molecular dynamics of mesophilic-like mutants of a cold-adapted enzyme: insights into distal effects induced by the mutationsElena Papaleo, Marco Pasi, Matteo Tiberti, et al.Journal of Molecular Modeling|October 26, 2005
Identification and in silico analysis of a new group of double-histone fold-containing proteinsClaudio Greco, Elena Sacco, Marco Vanoni, et al.FEBS Open Bio|June 12, 2014
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approachesAlberto Arrigoni, Luca Bertini, Luca De Gioia, et al.Journal of the American Chemical Society|January 8, 2014
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenasesMaurizio Bruschi, Matteo Tiberti, Alessandro Guerra, et al.Journal of the American Chemical Society|January 20, 2005
Reactivity of peroxo forms of the vanadium haloperoxidase cofactor. A DFT investigationGiuseppe Zampella, Piercarlo Fantucci, Vincent L Pecoraro, et al.Pageof 18