Bicocca Open Archive

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FANTUCCI, PIERCARLO
 Distribuzione geografica
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Continente #
NA - Nord America 7.651
EU - Europa 3.659
AS - Asia 1.425
SA - Sud America 15
AF - Africa 7
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 1
Totale 12.765
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Nazione #
US - Stati Uniti d'America 7.484
SE - Svezia 658
DE - Germania 632
CN - Cina 594
IT - Italia 554
IE - Irlanda 437
UA - Ucraina 416
SG - Singapore 353
RU - Federazione Russa 273
GB - Regno Unito 232
VN - Vietnam 185
CA - Canada 166
HK - Hong Kong 137
FI - Finlandia 96
IN - India 80
FR - Francia 77
PL - Polonia 73
AT - Austria 70
NL - Olanda 65
DK - Danimarca 37
TR - Turchia 36
BE - Belgio 16
BR - Brasile 13
ID - Indonesia 12
ES - Italia 9
IR - Iran 8
JP - Giappone 8
AU - Australia 5
CH - Svizzera 4
RO - Romania 4
TZ - Tanzania 3
CZ - Repubblica Ceca 2
IL - Israele 2
MU - Mauritius 2
NZ - Nuova Zelanda 2
RS - Serbia 2
SA - Arabia Saudita 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AF - Afghanistan, Repubblica islamica di 1
AR - Argentina 1
AZ - Azerbaigian 1
BY - Bielorussia 1
CL - Cile 1
GR - Grecia 1
KR - Corea 1
LK - Sri Lanka 1
MN - Mongolia 1
MX - Messico 1
MY - Malesia 1
PK - Pakistan 1
SC - Seychelles 1
TW - Taiwan 1
ZA - Sudafrica 1
Totale 12.765
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Città #
Ann Arbor 1.296
Woodbridge 831
Fairfield 625
Wilmington 534
Houston 529
Chandler 527
Jacksonville 447
Dublin 412
Frankfurt am Main 404
Ashburn 369
Singapore 289
Dearborn 259
Santa Clara 229
Cambridge 224
Seattle 219
Milan 179
New York 163
Princeton 158
Hong Kong 135
Nanjing 107
Shanghai 105
Dong Ket 100
Altamura 92
Lawrence 76
Kraków 71
Lachine 71
Vienna 65
Beijing 59
San Diego 50
Ottawa 47
Boardman 46
Fremont 43
Nanchang 37
Shenyang 33
Hebei 30
Guangzhou 29
Toronto 28
Helsinki 24
Grafing 21
Philadelphia 21
Falls Church 20
Romola 20
Tianjin 20
Changsha 19
Huizen 19
Jiaxing 19
Ningbo 18
Los Angeles 17
Norwalk 17
Pune 17
Hefei 16
Brussels 15
London 14
Leawood 13
Monmouth Junction 13
Jakarta 12
Andover 11
Hangzhou 11
Mountain View 11
Washington 11
Zhengzhou 11
Edmonton 10
Jinan 10
Tappahannock 10
Auburn Hills 9
Montréal 9
San Mateo 9
Sesto San Giovanni 9
Chicago 8
Kunming 8
University Park 8
Rome 7
Nürnberg 6
Pavia 6
Aylesbury 5
Genoa 5
Napoli 5
Paris 5
Amsterdam 4
Bologna 4
Dallas 4
Genova 4
Kiev 4
Laurel 4
Modena 4
Sacramento 4
Taizhou 4
Barcelona 3
Brescia 3
Campinas 3
Detroit 3
Madrid 3
Marseille 3
Monash 3
Phoenix 3
Prescot 3
Vimercate 3
Auckland 2
Belgrade 2
Birsfelden 2
Totale 9.509
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Nome #
Theoretical study of hydration of cyanamide and carbodiimide 359
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 287
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 275
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 268
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 239
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 233
An acidic loop and cognate phosphorylation sites define a molecular switch that modulates ubiquitin charging activity in cdc34-like enzymes 228
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 217
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 210
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 210
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 203
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 202
Tailoring transition metal complexes for non linear optics applications - A theoretical investigation of the electronic structure of M(CO)(x)ClyL complexes (M = Cr, W, Re, Ru, Os, Rh, Ir; L = Pyz, PyzBF(3), BPE, BPEBF3) 187
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 187
Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters 186
Computational approaches to shed light on molecular mechanisms in biological processes 186
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 185
Quantum Mechanical Models of the Resting State of the Vanadium-Dependent Haloperoxidase 184
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 184
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 184
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 180
Density functional theory investigation of the active site of [Fe]-hydrogenases: Effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe](H) subcluster 179
Fast generation of broken-symmetry states in a large system including multiple iron-sulfur assemblies: Investigation of QM/MM energies, clusters charges, and spin populations 178
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 177
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 176
Dynamic Properties of a Psychrophilic alpha-Amylase in Comparison with a Mesophilic Homologue 176
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 176
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 175
Ni-Fe hydrogenases: A density functional theory study of active site models 174
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 173
The yeast cyclin-dependent kinase inhibitor Sic1 shares a functionally and structurally homologous domain with mammalian p27Kip1 172
2-Arylpropionic CXC Chemokine Receptor 1 (CXCR1) Ligands as Novel Noncompetitive CXCL8 Inhibitors 172
Density functional theory investigation of guanosine triphosphate models. Catalytic role of Mg2 ions in phosphate ester hydrolysis 171
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 171
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 170
The electronic configuration of some low spin cobalt (II) N2O2 complexes studied by E.S.R. spectroscopy 169
Protein engineering for the improvement of enzymatic activity: a site-specific mutagenesis of a lactate dehydrogenase (LDH) expressed in Saccharomyces cerevisiae 168
The cold-active lipase of Pseudomonas fragi: Heterologous expression, biochemical characterization and molecular modeling 166
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 166
Flexibility and enzymatic cold-adaptation: A comparative molecular dynamics investigation of the elastase family 165
Redox potentials of small inorganic radicals and hexa-aquo complexes of first-row transition metals in water: a dft study based on the grand canonical ensemble 163
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 160
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case 158
Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity 157
Comparative molecular dynamics simulations of mesophilic and cold-adapted homologous enzymes 156
Unveiling How Stereoelectronic Factors Affect Kinetics and Thermodynamics of Protonation Regiochemistry in [FeFe] Hydrogenase Synthetic Models: A DFT Investigation 155
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 154
The electronic structure and magnetic properties of the nickel tetramer and its partially carbonylated forms 150
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 150
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 149
The isolated catalytic hairpin of the Ras-specific guanine nucleotide exchange factor Cdc25Mm retains nucleotide dissociation activity but has impaired nucleotide exchange activity 147
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 146
Mutations in the lid region affect chain length specificity and thermostability of a Pseudomonas fragi lipase 142
Insight into the Catalytic Mechanism of Vanadium Haloperoxidases. DFT Investigation of Vanadium Cofactor Reactivity 140
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 136
Effects of Calcium Binding on Structure and Autolysis Regulation in Trypsins. A Molecular Dynamics Investigation 136
Electronic and magnetic properties of the inactive form of the complex NN′-ethylenebis(salicylideneiminato)cobalt(II), and of five-co-ordinate complexes of cobalt(II) with Schiff's bases 135
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 133
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 131
A multitechnique investigation of the second order NLO response of a 10,20-diphenylporphyrinato nickel(II) complex carrying a phenylethynyl based push-pull system in the 5- and 15-positions 130
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 128
Three-dimensional structure of the catalytic domain of the yeast beta-(1,3)-glucan transferase Gas1: a molecular modeling investigation 127
Electronic configuration of cobalt(ii) low-spin complexes with acetylacetoneiminato dianions, studied by electronic and esr spectroscopy 124
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 123
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 properties of complexes related to the [2Fe](H) subcluster 122
Probing the Effects of One-Electron Reduction and Protonation on the Electronic Properties of the Fe-S Clusters in the Active-Ready Form of [FeFe]-Hydrogenases. A QM/MM Investigation 122
Esr-Spectra Of Square-Planar Tetragonal Complexes Of Cobalt(Ii) With Schiff-Bases 120
Electrocatalytic dihydrogen evolution mechanism of [Fe-2(CO)(4)(kappa(2)-Ph2PCH2CH2PPh2)(mu-S(CH2)(3)S)] and related models of the [FeFe]-hydrogenases active site: a DFT investigation 116
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 114
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 111
Reactivity of Peroxo Forms of the Vanadium Haloperoxidase Cofactor. A DFT investigations 108
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 108
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 107
In-silico Modeling of [FeFe]-hydrogenase chemistry 107
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 106
DFT characterization of the reaction pathways for terminal- to mu-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site 102
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 101
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) 95
APPLICATION OF SCF-MO-INDO METHOD NOT LIMITED TO STUDY OF SPIN-DENSITY IN COBALT(2+)-DIACETYLACETONEETHYLENEDIAMINE COMPLEXES 92
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 82
N-Acetylcysteine Antagonizes NGF Activation of TrkA through Disulfide Bridge Interaction, an Effect Which May Contribute to Its Analgesic Activity 40
Totale 13.051
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Categoria #
all - tutte 42.510
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 42.510
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.322 0 0 0 0 0 274 342 163 204 170 125 44
2020/20211.590 144 93 130 160 97 126 128 111 110 184 59 248
2021/20221.136 60 115 183 98 35 134 77 79 47 50 96 162
2022/20232.098 238 723 173 226 139 280 15 70 110 23 72 29
2023/20241.261 37 44 77 59 164 318 302 53 70 9 12 116
2024/20251.011 142 305 128 119 217 100 0 0 0 0 0 0
Totale 13.051