Bicocca Open Archive

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GRECO, CLAUDIO
 Distribuzione geografica
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Continente #
NA - Nord America 17.598
EU - Europa 10.102
AS - Asia 9.518
SA - Sud America 1.413
Continente sconosciuto - Info sul continente non disponibili 865
AF - Africa 228
OC - Oceania 19
Totale 39.743
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Nazione #
US - Stati Uniti d'America 16.664
SG - Singapore 2.667
IT - Italia 2.618
SE - Svezia 2.532
VN - Vietnam 2.420
CN - Cina 1.870
HK - Hong Kong 1.143
BR - Brasile 1.067
DE - Germania 1.043
RU - Federazione Russa 993
CA - Canada 775
UA - Ucraina 514
IE - Irlanda 511
GB - Regno Unito 397
FR - Francia 395
PL - Polonia 325
IN - India 290
BD - Bangladesh 260
AT - Austria 158
FI - Finlandia 157
AR - Argentina 136
KR - Corea 133
ID - Indonesia 120
TR - Turchia 108
NL - Olanda 94
DK - Danimarca 87
IQ - Iraq 83
ES - Italia 78
ZA - Sudafrica 78
MX - Messico 69
JP - Giappone 62
PK - Pakistan 56
CO - Colombia 51
CH - Svizzera 50
EC - Ecuador 48
SA - Arabia Saudita 43
BE - Belgio 41
PH - Filippine 41
VE - Venezuela 35
MA - Marocco 31
UZ - Uzbekistan 31
TN - Tunisia 25
CZ - Repubblica Ceca 24
KE - Kenya 22
MY - Malesia 22
PY - Paraguay 22
EG - Egitto 21
JM - Giamaica 20
CL - Cile 19
AU - Australia 17
LT - Lituania 17
AE - Emirati Arabi Uniti 15
CR - Costa Rica 15
JO - Giordania 13
KZ - Kazakistan 13
NP - Nepal 13
OM - Oman 13
BO - Bolivia 11
PE - Perù 11
TW - Taiwan 11
AZ - Azerbaigian 10
GT - Guatemala 10
IR - Iran 10
LB - Libano 10
RO - Romania 10
TH - Thailandia 10
DO - Repubblica Dominicana 9
ET - Etiopia 9
IL - Israele 9
NI - Nicaragua 9
UY - Uruguay 9
DZ - Algeria 8
HN - Honduras 8
PT - Portogallo 8
AL - Albania 7
NG - Nigeria 7
PS - Palestinian Territory 7
SV - El Salvador 7
BG - Bulgaria 6
CI - Costa d'Avorio 6
GR - Grecia 6
NO - Norvegia 6
EU - Europa 5
GE - Georgia 5
SC - Seychelles 5
A2 - ???statistics.table.value.countryCode.A2??? 4
AO - Angola 4
BH - Bahrain 4
EE - Estonia 4
KW - Kuwait 4
MN - Mongolia 4
KG - Kirghizistan 3
LY - Libia 3
MD - Moldavia 3
PR - Porto Rico 3
RS - Serbia 3
SN - Senegal 3
SY - Repubblica araba siriana 3
TT - Trinidad e Tobago 3
A1 - Anonimo 2
Totale 38.844
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Città #
Ann Arbor 2.706
Stockholm 1.881
Ashburn 1.572
Singapore 1.527
San Jose 1.128
Hong Kong 1.116
Milan 1.009
Woodbridge 908
Wilmington 857
Fairfield 845
Frankfurt am Main 686
Ho Chi Minh City 678
Houston 566
Hanoi 524
Toronto 522
Jacksonville 496
Dublin 492
Chandler 457
Santa Clara 386
Seattle 367
Dearborn 362
Dallas 351
Los Angeles 346
New York 330
Council Bluffs 299
Cambridge 275
Kraków 265
Beijing 236
Chicago 236
Princeton 225
The Dalles 194
Nanjing 166
Hefei 162
Rome 149
Vienna 146
Dong Ket 139
Seoul 123
Lauterbourg 118
Columbus 117
Buffalo 114
Shanghai 109
São Paulo 98
Altamura 95
Moscow 94
Boardman 90
Jakarta 85
Lawrence 84
Lachine 80
Da Nang 77
Guangzhou 70
Haiphong 69
Kent 56
London 56
San Diego 56
Orem 54
Fremont 53
Romola 53
Phoenix 50
Chennai 49
Ha Long 48
Biên Hòa 46
Munich 45
Tokyo 45
Warsaw 45
Tianjin 44
Brooklyn 43
Nanchang 43
Montreal 42
Johannesburg 41
Shenyang 41
Hebei 40
Denver 39
Zurich 39
Brussels 38
Thái Nguyên 36
Atlanta 35
Helsinki 35
Baghdad 34
Hải Dương 34
Changsha 33
Falls Church 32
Jinan 31
Quận Bình Thạnh 31
Bắc Ninh 30
Poplar 29
Turin 29
Andover 28
Brasília 27
Can Tho 27
Paris 26
Zhengzhou 26
Manchester 25
Rio de Janeiro 25
San Francisco 25
Tashkent 25
Belo Horizonte 24
Boston 24
Bắc Giang 24
Edmonton 24
Ninh Bình 24
Totale 25.836
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Nome #
A Zundel ion in the catalytic proton transfer pathway of [FeFe]-hydrogenase 1.961
Role of the carbon defects in the catalytic oxygen reduction by graphite nanoparticles: a spectromagnetic, electrochemical and computational integrated approach 581
CO oxidation mechanism of silver‐substituted Mo/Cu CO‐dehydrogenase. Analogies and differences to the native enzyme 559
Guiding Competitive Binding Assays Using Protein–Protein Interaction Prediction: The HER2–Affitin Use Case 544
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 544
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 519
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 510
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene 490
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 490
Computational study on light emission by NanoLuc luciferase 480
The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase? 466
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 458
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 427
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 427
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism. 421
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 411
Interaction of the H-cluster of FeFe hydrogenase with halides 409
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts 398
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 394
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 393
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 391
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 391
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 386
Shedding light on bioluminescence: a computational study on light emission by NanoLuc luciferase 383
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation 381
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications 379
Targeting amyloid aggregation: An overview of strategies and mechanisms 377
Organophosphorous ligands in hydrogenase-inspired iron-based catalysts: A DFT study on the energetics of metal protonation as a function of P-atom substitution 370
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 357
Enlightening the reaction mechanism of furimazine oxidation in DMSO 356
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 356
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 348
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene 346
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 333
An Open-Source AI-Driven Pipeline for Structure-Based De Novo Drug Design and Ligand Prioritization: ITForge 331
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 330
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding 327
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 327
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations. 326
Calix[4]arene-Based Sensitizers for Host-Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells 325
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 317
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations 314
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 313
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 311
ITForge: A Generative AI-Driven Drug Discovery Pipeline for Structure-Based De Novo Drug Design and Molecular Ranking with Open-Source Frameworks 310
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments 309
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 309
Behind the glow: unveiling the nature of NanoLuc reactants and products 302
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 299
Genetic analysis of polynucleotide phosphorylase structure and functions 295
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 288
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 288
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis 285
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 282
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 282
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site 281
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 280
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 279
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 278
Computational study on the structural stability of mutated Affitins 276
Evaluation of docking procedures reliability in affitins-partners interactions 274
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 274
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 273
Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states 273
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 273
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium 269
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 269
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 264
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 262
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 259
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study 258
Regulation of hSos1 activity is a system-level property generated by its multi-domain structure 257
Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster (Nature Chemistry, (2014), 6, 4, (336-342), 10.1038/nchem.1892) 254
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 253
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 251
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase 250
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases 249
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 247
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 244
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 244
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 238
Identification and in silico analysis of a new group of double-histone fold-containing proteins 237
Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex 237
A system-level analysis of regulation of hSos1, the major activator of the Ras oncoprotein 236
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes 236
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 235
Protonation and electrochemical properties of a bisphosphide diiron hexacarbonyl complex bearing amino groups on the phosphide bridge 235
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 228
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 228
In-silico Modeling of [FeFe]-hydrogenase chemistry 227
How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H2-evolving Mo oxides/sulphides as case studies 225
H2 binding and splitting on a new-generation [fefe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation 225
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 224
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 220
BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study 219
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 218
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 217
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 216
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 214
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases 214
Totale 33.626
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Categoria #
all - tutte 114.973
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 114.973
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.440 0 0 245 170 104 147 102 84 102 66 145 275
2022/20232.627 336 705 302 245 197 394 35 121 144 29 80 39
2023/20241.757 57 62 88 126 251 375 340 88 127 32 35 176
2024/20255.053 247 518 242 293 434 273 359 255 505 769 435 723
2025/202615.780 2.016 1.081 952 1.352 1.394 642 1.965 524 1.028 2.924 928 974
2026/20271.604 331 626 647 0 0 0 0 0 0 0 0 0
Totale 39.743