Bicocca Open Archive

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FANTUCCI, PIERCARLO
 Distribuzione geografica
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Continente #
NA - Nord America 7.603
EU - Europa 3.653
AS - Asia 1.363
SA - Sud America 13
AF - Africa 7
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 1
Totale 12.647
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Nazione #
US - Stati Uniti d'America 7.436
SE - Svezia 658
DE - Germania 631
CN - Cina 576
IT - Italia 552
IE - Irlanda 437
UA - Ucraina 416
SG - Singapore 324
RU - Federazione Russa 273
GB - Regno Unito 232
VN - Vietnam 185
CA - Canada 166
HK - Hong Kong 136
FI - Finlandia 94
FR - Francia 77
IN - India 74
PL - Polonia 73
AT - Austria 70
NL - Olanda 65
DK - Danimarca 37
TR - Turchia 36
BE - Belgio 16
BR - Brasile 11
ES - Italia 9
IR - Iran 8
JP - Giappone 8
AU - Australia 5
ID - Indonesia 4
RO - Romania 4
CH - Svizzera 3
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 12.647
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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 368
Singapore 263
Dearborn 259
Cambridge 224
Seattle 219
Santa Clara 182
Milan 178
New York 163
Princeton 158
Hong Kong 134
Nanjing 107
Shanghai 105
Dong Ket 100
Altamura 92
Lawrence 76
Kraków 71
Lachine 71
Vienna 65
Beijing 57
San Diego 50
Ottawa 47
Boardman 46
Fremont 43
Nanchang 37
Shenyang 33
Hebei 30
Guangzhou 28
Toronto 28
Helsinki 22
Grafing 21
Philadelphia 21
Falls Church 20
Romola 20
Changsha 19
Huizen 19
Jiaxing 19
Ningbo 18
Tianjin 18
Los Angeles 17
Norwalk 17
Hefei 16
Brussels 15
London 14
Leawood 13
Monmouth Junction 13
Andover 11
Hangzhou 11
Mountain View 11
Pune 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
Jakarta 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 9.412
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Nome #
Theoretical study of hydration of cyanamide and carbodiimide 350
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 286
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 274
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 267
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 236
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 229
An acidic loop and cognate phosphorylation sites define a molecular switch that modulates ubiquitin charging activity in cdc34-like enzymes 227
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 215
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 209
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 209
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 202
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 201
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) 186
Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters 185
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 185
Computational approaches to shed light on molecular mechanisms in biological processes 184
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 184
Quantum Mechanical Models of the Resting State of the Vanadium-Dependent Haloperoxidase 183
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 183
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 182
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 178
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 178
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 176
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 176
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 175
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 175
Dynamic Properties of a Psychrophilic alpha-Amylase in Comparison with a Mesophilic Homologue 174
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 173
Ni-Fe hydrogenases: A density functional theory study of active site models 172
The yeast cyclin-dependent kinase inhibitor Sic1 shares a functionally and structurally homologous domain with mammalian p27Kip1 172
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 172
2-Arylpropionic CXC Chemokine Receptor 1 (CXCR1) Ligands as Novel Noncompetitive CXCL8 Inhibitors 171
Density functional theory investigation of guanosine triphosphate models. Catalytic role of Mg2 ions in phosphate ester hydrolysis 170
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 170
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 169
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 167
The cold-active lipase of Pseudomonas fragi: Heterologous expression, biochemical characterization and molecular modeling 166
Flexibility and enzymatic cold-adaptation: A comparative molecular dynamics investigation of the elastase family 164
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 163
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 160
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 160
Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity 157
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case 156
Comparative molecular dynamics simulations of mesophilic and cold-adapted homologous enzymes 155
Unveiling How Stereoelectronic Factors Affect Kinetics and Thermodynamics of Protonation Regiochemistry in [FeFe] Hydrogenase Synthetic Models: A DFT Investigation 154
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 153
The electronic structure and magnetic properties of the nickel tetramer and its partially carbonylated forms 150
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 148
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 146
The isolated catalytic hairpin of the Ras-specific guanine nucleotide exchange factor Cdc25Mm retains nucleotide dissociation activity but has impaired nucleotide exchange activity 146
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 143
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 139
Effects of Calcium Binding on Structure and Autolysis Regulation in Trypsins. A Molecular Dynamics Investigation 136
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 135
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. 132
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 129
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 128
Three-dimensional structure of the catalytic domain of the yeast beta-(1,3)-glucan transferase Gas1: a molecular modeling investigation 127
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 127
Electronic configuration of cobalt(ii) low-spin complexes with acetylacetoneiminato dianions, studied by electronic and esr spectroscopy 124
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 121
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 121
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 121
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 115
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 112
Reactivity of Peroxo Forms of the Vanadium Haloperoxidase Cofactor. A DFT investigations 107
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 107
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 107
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 106
In-silico Modeling of [FeFe]-hydrogenase chemistry 105
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 104
DFT characterization of the reaction pathways for terminal- to mu-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site 101
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 100
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) 92
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 79
N-Acetylcysteine Antagonizes NGF Activation of TrkA through Disulfide Bridge Interaction, an Effect Which May Contribute to Its Analgesic Activity 34
Totale 12.933
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Categoria #
all - tutte 41.535
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 41.535
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.539 0 0 0 0 217 274 342 163 204 170 125 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
2024/2025893 142 305 128 119 199 0 0 0 0 0 0 0
Totale 12.933