maurizio bruschi
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Synthesis of the H-cluster framework of iron-only hydrogenase
C Tard, X Liu, SK Ibrahim, M Bruschi, L De Gioia, SC Davies, X Yang, ...
Nature 433 (7026), 610-613, 2005
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases
M Bruschi, G Zampella, P Fantucci, L De Gioia
Coordination chemistry reviews 249 (15-16), 1620-1640, 2005
Molecular determinants of the physicochemical properties of a critical prion protein region comprising residues 106–126
M Salmona, P Malesani, LDE GIOIA, S Gorla, M Bruschi, A Molinari, ...
Biochemical Journal 342 (1), 207-214, 1999
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases
C Greco, M Bruschi, L De Gioia, U Ryde
Inorganic chemistry 46 (15), 5911-5921, 2007
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2 (S2C3H6)(CO) 6: the simplest functional model of the Fe-hydrogenase active site
C Greco, G Zampella, L Bertini, M Bruschi, P Fantucci, L De Gioia
Inorganic chemistry 46 (1), 108-116, 2007
DFT Investigation of Structural, Electronic, and Catalytic Properties of Diiron Complexes Related to the [2Fe]H Subcluster of Fe-Only Hydrogenases
M Bruschi, P Fantucci, L De Gioia
Inorganic chemistry 41 (6), 1421-1429, 2002
Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity …
M Bruschi, P Fantucci, L De Gioia
Inorganic chemistry 42 (15), 4773-4781, 2003
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster
V Fourmond, C Greco, K Sybirna, C Baffert, PH Wang, P Ezanno, ...
Nature chemistry 6 (4), 336, 2014
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 …
M Bruschi, C Greco, M Kaukonen, P Fantucci, U Ryde, L De Gioia
Angewandte Chemie 121 (19), 3555-3558, 2009
Investigations on the role of proton-coupled electron transfer in hydrogen activation by [FeFe]-hydrogenase
DW Mulder, MW Ratzloff, M Bruschi, C Greco, E Koonce, JW Peters, ...
Journal of the American Chemical Society 136 (43), 15394-15402, 2014
Predictive carcinogenicity: a model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network
G Gini, M Lorenzini, E Benfenati, P Grasso, M Bruschi
Journal of chemical information and computer sciences 39 (6), 1076-1080, 1999
Gas-phase reaction of phenol with NO3
E Bolzacchini, M Bruschi, J Hjorth, S Meinardi, M Orlandi, B Rindone, ...
Environmental science & technology 35 (9), 1791-1797, 2001
Editorial Board: V. Balzani· A. de Meijere· KN Houk· H. Kessler· J.-M. Lehn SV Ley· SL Schreiber· J. Thiem· BM Trost· F. Vögtle
H Yamamoto
Combinatorial Chemistry 279, 2007
Density functional theory investigation of the active site of Fe-hydrogenases. Systematic study of the effects of redox state and ligands hardness on structural and electronic …
M Bruschi, P Fantucci, L De Gioia
Inorganic chemistry 43 (12), 3733-3741, 2004
Nucleolin, a novel partner for the Myb transcription factor family that regulates their activity
GG Ying, P Proost, J Van Damme, M Bruschi, M Introna, J Golay
Journal of Biological Chemistry 275 (6), 4152-4158, 2000
A theoretical study of spin states in Ni-S 4 complexes and models of the [NiFe] hydrogenase active site
M Bruschi, L De Gioia, G Zampella, M Reiher, P Fantucci, M Stein
JBIC Journal of Biological Inorganic Chemistry 9 (7), 873-884, 2004
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation
M Bruschi, C Greco, P Fantucci, LD Gioia
Inorganic chemistry 47 (13), 6056-6071, 2008
Disclosure of Key Stereoelectronic Factors for Efficient H2 Binding and Cleavage in the Active Site of [NiFe]-Hydrogenases
M Bruschi, M Tiberti, A Guerra, L De Gioia
Journal of the American Chemical Society 136 (5), 1803-1814, 2014
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 …
G Zampella, M Bruschi, P Fantucci, M Razavet, CJ Pickett, L De Gioia
Chemistry–A European Journal 11 (2), 509-533, 2005
Theoretical study of hydration of cyanamide and carbodiimide
F Tordini, A Bencini, M Bruschi, L De Gioia, G Zampella, P Fantucci
The Journal of Physical Chemistry A 107 (8), 1188-1196, 2003
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