Bicocca Open Archive

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FANTUCCI, PIERCARLO
 Distribuzione geografica
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Continente #
NA - Nord America 10.835
AS - Asia 5.126
EU - Europa 4.658
SA - Sud America 664
AF - Africa 119
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 2
AN - Antartide 1
Totale 21.415
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Nazione #
US - Stati Uniti d'America 10.152
SG - Singapore 1.627
CN - Cina 1.271
IT - Italia 874
VN - Vietnam 828
DE - Germania 707
SE - Svezia 665
CA - Canada 617
HK - Hong Kong 609
RU - Federazione Russa 582
BR - Brasile 516
IE - Irlanda 440
UA - Ucraina 439
GB - Regno Unito 286
IN - India 207
FR - Francia 172
FI - Finlandia 108
KR - Corea 100
PL - Polonia 93
NL - Olanda 81
AT - Austria 75
TR - Turchia 74
AR - Argentina 69
BD - Bangladesh 60
IQ - Iraq 44
MX - Messico 42
SA - Arabia Saudita 39
ZA - Sudafrica 39
DK - Danimarca 37
ID - Indonesia 36
JP - Giappone 35
PK - Pakistan 33
ES - Italia 30
UZ - Uzbekistan 23
EC - Ecuador 22
PH - Filippine 21
BE - Belgio 16
CO - Colombia 14
KE - Kenya 14
MA - Marocco 13
VE - Venezuela 13
MY - Malesia 12
TH - Thailandia 12
TN - Tunisia 12
OM - Oman 11
CH - Svizzera 10
NP - Nepal 10
EG - Egitto 9
IL - Israele 9
JM - Giamaica 9
AU - Australia 8
IR - Iran 8
PY - Paraguay 8
CL - Cile 7
LT - Lituania 7
AE - Emirati Arabi Uniti 6
ET - Etiopia 6
JO - Giordania 6
PE - Perù 6
RO - Romania 6
TW - Taiwan 6
CR - Costa Rica 5
GR - Grecia 5
RS - Serbia 5
AL - Albania 4
BH - Bahrain 4
BO - Bolivia 4
DO - Repubblica Dominicana 4
KZ - Kazakistan 4
LB - Libano 4
NG - Nigeria 4
PS - Palestinian Territory 4
SY - Repubblica araba siriana 4
UY - Uruguay 4
CZ - Repubblica Ceca 3
MD - Moldavia 3
QA - Qatar 3
TZ - Tanzania 3
AZ - Azerbaigian 2
BG - Bulgaria 2
BJ - Benin 2
BN - Brunei Darussalam 2
GE - Georgia 2
HN - Honduras 2
KG - Kirghizistan 2
KW - Kuwait 2
LY - Libia 2
MM - Myanmar 2
MU - Mauritius 2
MZ - Mozambico 2
NI - Nicaragua 2
NZ - Nuova Zelanda 2
PT - Portogallo 2
SN - Senegal 2
ZM - Zambia 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AF - Afghanistan, Repubblica islamica di 1
AO - Angola 1
AQ - Antartide 1
BA - Bosnia-Erzegovina 1
Totale 21.397
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Città #
Ann Arbor 1.296
Ashburn 1.043
Singapore 963
Woodbridge 831
Fairfield 625
San Jose 602
Hong Kong 599
Houston 538
Wilmington 537
Chandler 527
Jacksonville 450
Toronto 444
Frankfurt am Main 422
Dublin 415
Milan 293
Santa Clara 261
Dearborn 259
Seattle 225
Cambridge 224
New York 205
Ho Chi Minh City 195
Hefei 191
Beijing 162
Princeton 158
Hanoi 155
Los Angeles 150
Chicago 136
Shanghai 113
Nanjing 108
Dallas 100
Dong Ket 100
The Dalles 97
Seoul 96
Altamura 92
Lawrence 76
Kraków 71
Lachine 71
Lauterbourg 71
Buffalo 67
Vienna 66
Boardman 59
Moscow 59
Council Bluffs 57
San Diego 50
Ottawa 47
São Paulo 46
Rome 45
Fremont 43
Guangzhou 42
Nanchang 37
Shenyang 37
Hebei 30
London 30
Changsha 28
Philadelphia 27
Helsinki 26
Chennai 25
Orem 25
Da Nang 24
Haiphong 24
Tianjin 24
Pune 22
Grafing 21
Jakarta 21
Munich 21
Tashkent 21
Falls Church 20
Jiaxing 20
Kent 20
Romola 20
Tokyo 20
Huizen 19
Atlanta 18
Montreal 18
Ningbo 18
Jeddah 17
Norwalk 17
Rio de Janeiro 17
Warsaw 17
Amsterdam 16
Baghdad 16
Phoenix 16
Brussels 15
Hangzhou 15
Zhengzhou 15
Denver 14
Jinan 14
Washington 14
Boston 13
Brasília 13
Brooklyn 13
Buenos Aires 13
Johannesburg 13
Leawood 13
Monmouth Junction 13
Elk Grove Village 12
Hải Dương 12
Salt Lake City 12
Andover 11
Biên Hòa 11
Totale 14.450
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Nome #
Theoretical study of hydration of cyanamide and carbodiimide 514
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 498
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 461
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 405
N-Acetylcysteine Antagonizes NGF Activation of TrkA through Disulfide Bridge Interaction, an Effect Which May Contribute to Its Analgesic Activity 390
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 382
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 372
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 364
An acidic loop and cognate phosphorylation sites define a molecular switch that modulates ubiquitin charging activity in cdc34-like enzymes 349
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 344
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 343
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 334
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 331
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 309
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 304
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution 304
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 299
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 298
Dynamic Properties of a Psychrophilic alpha-Amylase in Comparison with a Mesophilic Homologue 296
Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters 291
Flexibility and enzymatic cold-adaptation: A comparative molecular dynamics investigation of the elastase family 287
The cold-active lipase of Pseudomonas fragi: Heterologous expression, biochemical characterization and molecular modeling 283
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 282
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case 281
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 281
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 276
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 275
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) 272
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 272
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 272
The isolated catalytic hairpin of the Ras-specific guanine nucleotide exchange factor Cdc25Mm retains nucleotide dissociation activity but has impaired nucleotide exchange activity 271
Computational approaches to shed light on molecular mechanisms in biological processes 269
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 267
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 266
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 266
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 266
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 266
Ni-Fe hydrogenases: A density functional theory study of active site models 265
Comparative molecular dynamics simulations of mesophilic and cold-adapted homologous enzymes 263
Quantum Mechanical Models of the Resting State of the Vanadium-Dependent Haloperoxidase 263
2-Arylpropionic CXC Chemokine Receptor 1 (CXCR1) Ligands as Novel Noncompetitive CXCL8 Inhibitors 263
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 262
Density functional theory investigation of guanosine triphosphate models. Catalytic role of Mg2 ions in phosphate ester hydrolysis 259
The yeast cyclin-dependent kinase inhibitor Sic1 shares a functionally and structurally homologous domain with mammalian p27Kip1 258
Protein engineering for the improvement of enzymatic activity: a site-specific mutagenesis of a lactate dehydrogenase (LDH) expressed in Saccharomyces cerevisiae 256
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 256
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 246
Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity 241
On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation 241
The electronic structure and magnetic properties of the nickel tetramer and its partially carbonylated forms 240
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 240
Unveiling How Stereoelectronic Factors Affect Kinetics and Thermodynamics of Protonation Regiochemistry in [FeFe] Hydrogenase Synthetic Models: A DFT Investigation 240
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 238
DFT characterization of key intermediates in thiols oxidation catalyzed by amavadin 238
The electronic configuration of some low spin cobalt (II) N2O2 complexes studied by E.S.R. spectroscopy 237
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 236
Effects of Calcium Binding on Structure and Autolysis Regulation in Trypsins. A Molecular Dynamics Investigation 236
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 233
Insight into the Catalytic Mechanism of Vanadium Haloperoxidases. DFT Investigation of Vanadium Cofactor Reactivity 232
Mutations in the lid region affect chain length specificity and thermostability of a Pseudomonas fragi lipase 226
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 226
Three-dimensional structure of the catalytic domain of the yeast beta-(1,3)-glucan transferase Gas1: a molecular modeling investigation 224
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 223
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 219
In-silico Modeling of [FeFe]-hydrogenase chemistry 218
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 214
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 213
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 207
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 206
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 201
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 191
Electronic configuration of cobalt(ii) low-spin complexes with acetylacetoneiminato dianions, studied by electronic and esr spectroscopy 190
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) 186
Esr-Spectra Of Square-Planar Tetragonal Complexes Of Cobalt(Ii) With Schiff-Bases 186
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 181
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 181
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 179
Reactivity of Peroxo Forms of the Vanadium Haloperoxidase Cofactor. A DFT investigations 177
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 168
DFT characterization of the reaction pathways for terminal- to mu-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site 164
APPLICATION OF SCF-MO-INDO METHOD NOT LIMITED TO STUDY OF SPIN-DENSITY IN COBALT(2+)-DIACETYLACETONEETHYLENEDIAMINE COMPLEXES 155
Interaction of Erdosteine with TrkA Signaling Pathways: Implications for Analgesia 87
Totale 21.705
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Categoria #
all - tutte 67.922
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 67.922
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021248 0 0 0 0 0 0 0 0 0 0 0 248
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
2024/20252.573 142 305 128 119 217 103 147 146 227 358 209 472
2025/20267.092 663 491 498 718 766 337 1.059 369 610 576 570 435
Totale 21.705