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Mostrati risultati da 41 a 60 di 81
Titolo Tipologia Data di pubblicazione Autori File
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 03 - Contributo in libro 2007 BERTINI, LUCABRUSCHI, MAURIZIODE GIOIA, LUCAFANTUCCI, PIERCARLOGRECO, CLAUDIOZAMPELLA, GIUSEPPE
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 01 - Articolo su rivista 2007 GRECO, CLAUDIOBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 01 - Articolo su rivista 2007 GRECO, CLAUDIOZAMPELLA, GIUSEPPEBERTINI, LUCABRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Computational approaches to shed light on molecular mechanisms in biological processes 01 - Articolo su rivista 2007 MORO, GIORGIOBONATI, LAURABRUSCHI, MAURIZIOCOSENTINO, UGO RENATODE GIOIA, LUCAFANTUCCI, PIERCARLOZAMPELLA, GIUSEPPE +
Three-dimensional structure of the catalytic domain of the yeast beta-(1,3)-glucan transferase Gas1: a molecular modeling investigation 01 - Articolo su rivista 2006 FANTUCCI, PIERCARLOVAI, MARINADE GIOIA, LUCA +
Insight into the Catalytic Mechanism of Vanadium Haloperoxidases. DFT Investigation of Vanadium Cofactor Reactivity 01 - Articolo su rivista 2006 ZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLODE GIOIA, LUCA +
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 01 - Articolo su rivista 2006 BERTINI, LUCAGRECO, CLAUDIODE GIOIA, LUCAFANTUCCI, PIERCARLO
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 01 - Articolo su rivista 2006 ZAMPELLA, GIUSEPPEGRECO, CLAUDIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Flexibility and enzymatic cold-adaptation: A comparative molecular dynamics investigation of the elastase family 01 - Articolo su rivista 2006 PAPALEO, ELENAFANTUCCI, PIERCARLODE GIOIA, LUCA +
The isolated catalytic hairpin of the Ras-specific guanine nucleotide exchange factor Cdc25Mm retains nucleotide dissociation activity but has impaired nucleotide exchange activity 01 - Articolo su rivista 2005 SACCO, ELENAMETALLI, DAVIDDE GIOIA, LUCAFANTUCCI, PIERCARLOALBERGHINA, LILIAVANONI, MARCO ERCOLE +
Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)5L Complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF3, BPE, BPEBF3) 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIOFANTUCCI, PIERCARLO +
The yeast cyclin-dependent kinase inhibitor Sic1 shares a functionally and structurally homologous domain with mammalian p27Kip1 01 - Articolo su rivista 2005 DE GIOIA, LUCACOCCETTI, PAOLAFANTUCCI, PIERCARLOVANONI, MARCO ERCOLEALBERGHINA, LILIA +
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 01 - Articolo su rivista 2005 GRECO, CLAUDIOFANTUCCI, PIERCARLODE GIOIA, LUCA
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIOZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLODE GIOIA, LUCA
Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway 01 - Articolo su rivista 2005 ZAMPELLA, GIUSEPPEBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA +
2-Arylpropionic CXC Chemokine Receptor 1 (CXCR1) Ligands as Novel Noncompetitive CXCL8 Inhibitors 01 - Articolo su rivista 2005 ZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLO +
Mutations in the lid region affect chain length specificity and thermostability of a Pseudomonas fragi lipase 01 - Articolo su rivista 2005 DE GIOIA, LUCAALBERGHINA, LILIAFANTUCCI, PIERCARLOLOTTI, MARINA +
Reactivity of Peroxo Forms of the Vanadium Haloperoxidase Cofactor. A DFT investigations 01 - Articolo su rivista 2005 ZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLODE GIOIA, LUCA +
Effects of Calcium Binding on Structure and Autolysis Regulation in Trypsins. A Molecular Dynamics Investigation 01 - Articolo su rivista 2005 PAPALEO, ELENAFANTUCCI, PIERCARLODE GIOIA, LUCA
DFT investigation of H-2 activation by [M(NHPnPr(3))(' S3 ')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models 01 - Articolo su rivista 2005 ZAMPELLA, GIUSEPPEBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Mostrati risultati da 41 a 60 di 81
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