IRIS
MARINO, Tiziana
 Distribuzione geografica
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Continente #
NA - Nord America 5.136
EU - Europa 2.329
AS - Asia 406
AF - Africa 86
SA - Sud America 18
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 11
Totale 7.997
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Nazione #
US - Stati Uniti d'America 3.913
CA - Canada 1.221
UA - Ucraina 970
DE - Germania 514
IT - Italia 258
SE - Svezia 213
CN - Cina 195
AT - Austria 190
TR - Turchia 125
SN - Senegal 85
FI - Finlandia 54
NL - Olanda 37
IN - India 26
BE - Belgio 21
FR - Francia 20
HK - Hong Kong 19
KR - Corea 19
GB - Regno Unito 16
AU - Australia 11
EU - Europa 11
RU - Federazione Russa 10
PL - Polonia 9
ES - Italia 8
BR - Brasile 7
SG - Singapore 7
JP - Giappone 4
PE - Perù 4
RS - Serbia 4
AR - Argentina 3
CL - Cile 2
ID - Indonesia 2
IL - Israele 2
VN - Vietnam 2
BO - Bolivia 1
BY - Bielorussia 1
CR - Costa Rica 1
EC - Ecuador 1
HU - Ungheria 1
IR - Iran 1
KH - Cambogia 1
LK - Sri Lanka 1
LU - Lussemburgo 1
MX - Messico 1
NO - Norvegia 1
PT - Portogallo 1
SA - Arabia Saudita 1
TH - Thailandia 1
ZA - Sudafrica 1
Totale 7.997
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Città #
Montréal 1.154
Chandler 820
Jacksonville 608
San Mateo 323
Dearborn 316
Vienna 164
Roxbury 149
Lawrence 143
Izmir 115
New York 114
Ashburn 97
Des Moines 95
Dakar 85
Rende 68
Ann Arbor 64
Bremen 57
Ogden 57
Shanghai 57
Helsinki 54
Ottawa 53
Wilmington 52
Brooklyn 50
Beijing 48
Inglewood 38
Florence 37
San Francisco 27
Grafing 26
Boardman 25
Cambridge 23
Brussels 21
Seoul 19
Cosenza 18
Seattle 17
Hong Kong 16
Pune 15
Houston 13
Jinan 13
Toronto 12
West Jordan 11
Redwood City 10
Nanjing 9
Rome 9
Frankfurt am Main 8
Hefei 8
Nanchang 8
Chicago 7
Wroclaw 7
Woodbridge 6
Falkenstein 5
Kunming 5
London 5
Melbourne 5
Milan 5
Monmouth Junction 5
Secaucus 5
Zhengzhou 5
Belgrade 4
Coimbatore 4
Lima 4
Messina 4
Pozzuoli 4
Strasbourg 4
São Paulo 4
Alquerias del Nino Perdido 3
Andover 3
Berlin 3
Burjassot 3
Canberra 3
Carmiano 3
Catanzaro 3
Changping 3
Duncan 3
Genova 3
Guangzhou 3
Haikou 3
Lanzhou 3
Naples 3
Palermo 3
Paris 3
Pushchino 3
Redmond 3
Santa Clara 3
Shenyang 3
Stockholm 3
Sydney 3
Taizhou 3
Tianjin 3
Tokyo 3
Amsterdam 2
Boydton 2
Cagliari 2
Changsha 2
Cinisello Balsamo 2
Decollatura 2
Esslingen am Neckar 2
Fairfield 2
Falls Church 2
Gallipoli 2
Gunzenhausen 2
Hebei 2
Totale 5.313
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Nome #
Insights into the Catalytic Mechanism of Domains CD1 and CD2 in Histone Deacetylase 6 from Quantum Calculations 1.205
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 92
Aluminum(III), iron(III) and copper(II) complexes of luteolin: stability, antioxidant and anti-inflammatory properties 91
Insight on the chelation of aluminum(III) and iron(III) by curcumin in aqueous solution 90
The antioxidant capability of higenamine: Insights from theory 88
Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations 79
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 77
Effect of Copper on the Mitochondrial Carnitine/Acylcarnitine Carrier Via Interaction with Cys136 and Cys155. Possible Implications in Pathophysiology 75
A promising marriage between theory and experiment : density functional method versus mass spectrometry 74
A theoretical study on tautomerization processes of dehydrated and monohydrated cytosine 73
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 73
Can Fused Thiophene-Pyrrole Containing Rings act as Possible New Electrochromic Dyes ? A Computational Prediction 72
Antioxidant properties of the Vam3 derivative of resveratrol 69
Antioxidant properties of phenolic compounds: H-atom versus electron transfer mechanism 68
Chemical Insights intothe AntioxidantMechanismsofAlkylseleno and Alkyltelluro Phenols:Periodic Relatives Behaving Differently 68
A theoretical study on tautomerization process of dehydrated and monohydrated cytosine 66
A Comparative Study of the Catalytic Mechanisms of the Zinc and Cadmium Containing Carbonic Anhydrase 66
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 66
Complexation behaviour of caffeic, ferulic and p-coumaric acids towards aluminium cation: a combined experimental and theoretical approach 65
Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation 64
On the Electrochromic Properties of Borepins: A Computational Prediction 63
"Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: Insights from theory" 62
Assessment of Approximate Density Functional Methods for the Study of the Interactions of Al(III) with Aromatic Amino Acids 62
A Detailed Investigation on the Catalytic Mechanism of Fe(III)-Zn(II) Purple Acid Phosphatase 61
A Review on Coordination Properties of Al(III) and Fe(III) toward Natural Antioxidant Molecules: Experimental and Theoretical Insights 61
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 60
Attosecond dynamics simulations of glycine irradiated by α-particle: Comment on “A never-ending story in the sky: The secrets of chemical evolution” by C. Puzzarini and V. Barone 60
Molecular mechanics and dynamic of a- and b -amanitin 59
Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation 59
Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework 58
Potential Energy Surfaces for the Gas-Phase Interaction between α-Alanine and Alkali Metal Ions (Li+, Na+, K+). A Density Functional Study 56
" The conformational properties of (-)-Dolastatin 10, A powerful Antineoplastic Agent" 56
A Proposal for Mitochondrial Processing Peptidase Catalytic Mechanism 54
Explicit Water Molecules Play aKey Role in the Mechanism of Rhodium-Substituted Human Carbonic Anhydrase 53
A micro-environmental study of the Zn+2–Aβ1–16 structural properties 53
Interaction of the Mn2+, Co2+, Ni2+, and Zn2+ with Prion Protein HGGGW Pentapeptide Model 52
Computational mechanistic insights on the NO oxidation reaction catalyzed by non-heme biomimetic Cr-N-tetramethylated cyclam complexes 52
How the lanthanide ions affect the addtion-elimination step of methanol dehydrogenases 52
" Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives" 51
On the Catalytic Activity of the Engineered Coiled-Coil Heptamer Mimicking the Hydrolase Enzymes: Insights from a Computational Study 51
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 50
Ab Initio Study of Microsolvated Al3+−Aromatic Amino Acid Complexes 50
Insights into the coordination mode of quercetin with the Al(III) ion from a combined experimental and theoretical study 50
The Hydration of Aromatic Nitriles Catalyzed by Mn-OH Complexes: a Rationalization from Quantum Chemical Investigations 50
Interaction of Cu+ and Cu2+ ions with a-alanine. A density functional study 49
Catalytic mechanism of the arylsulfatase promiscuous enzyme from Pseudomonas aeruginosa 49
Structural and Binding Properties of Metal Ion Chelators Relevant to Alzheimer’s Disease. A Theoretical Investigation 49
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 49
Theoretical Comparison between Structural and Dynamical Features of Dolastatins 11 and 12 Antineoplastic Depsipeptides 49
Experimental and theoretical study on the coordination properties of quercetin towards aluminum(III), iron(III) and copper(II) in aqueous solution 49
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 49
QM cluster or QM/MM in computational enzymology: The test case of LigW-decarboxylase 49
Catalytic activity of a æ-class zinc and cadmium containing carbonic anhydrase. Compared work mechanisms 48
A deeper insight on the radical scavenger activity of two simple coumarins toward OOH radical 48
Probing of the tautomeric amino-oxo vs imino-oxo equilibrium of substituted deoxycytidines by fast atom bombardment mass spectrometry 48
“Structure and properties of a copper-mediated nucleobase pair from density functional theory investigation” 47
Food Antioxidants: Chemical Insights at the Molecular Level 47
The performance of density functional based methods in the description of selected biological systems and processes 47
The Catalytic Mechanism of Human Transketolase 47
Density Functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent 46
The role of glutathione in cadmium ion detoxi.cation: Coordination modes and binding properties – A density functional study 46
The effects of the metal ion substitution into the active site of metalloenzymes: A theoretical insight on some selected cases 46
Density functional computations of proton affinity and gas-phase basicity of proline 45
Molecular mechanics and dynamics of a- and b-amanitin 45
How can work methanol dehydrogenase from Methylacidiphilum fumariolicum with the alien Ce(III) ion in the active center? A theoretical study 45
Partecipation of the Nucleobases in the Regioselective Backbone Fragmentation of Nucleic Acid. A Molecular Dynamics and Tandem Mass Spectrometric Investigation on a Model Dinucleoside Phosphotriester 45
Density functional study of oxo-hydroxy tautomerism of 5-fluorouracil 44
Theoretical investigation on DNA/RNA base pairs mediated by copper, silver, and gold cations 44
Participation of the nucleobases in the regioselective backbone fragmentation of nucleic acids. A molecular dynamics and tandem mass spectrometric investigation on a model dinucleoside phosphotriester 44
"Working Mechanism of Insulin-Degrading Enzyme" 44
Structural characterization of aluminium(III) and iron(III) complexes of coumarinic acid in aqueous solutions from combined experimental and theoretical investigations 44
Antioxidant and copper-chelating power of new molecules suggested as multiple target agents against Alzheimer's disease. A theoretical comparative study 43
Conformational behaviour of antineoplastic peptides Dolastatin 10 and Dolastatin 15 from Monte Carlo and Molecular Dynamics simulations 43
Direct Hydrogenation of Carbon Dioxide by an Artifi cial Reductase Obtained by Substituting Rhodium for Zinc in the Carbonic Anhydrase Catalytic Center. A Mechanistic Study 43
Site-Selective Methylation of Nβ-Nosyl Hydrazides of N-Nosyl Protected α-Amino Acids 43
Interaction of Li+, Na+, and K+ with the Proline Amino Acid. Complexation Modes, Potential Energy Profiles, and Metal Ion Affinities 43
Chalcogen Effects in the Photophysical Properties of Dimethylamino-1,8-naphthalimide Dyes Revealed by DFT Investigation 43
Inhibition of the carnitine acylcarnitine carrier by carbon monoxide reveals a novel mechanism of action with non-metal-containing proteins 42
Oxidation Mechanism of Methionine by HO• Radical: A Theoretical Study 42
Structural Characterization of Peripolin and Study of Antioxidant Activity of HMG Flavonoids from Bergamot Fruit 41
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 41
TDDFT investigation on Methylviologen, 3,7-diazabenzophosphole and helical helquat electrochromic systems 40
The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid–platinum(II) anticancer complex 40
Why hydroxy-proline improves the catalytic power of the peptidoglycan: N -deacetylase enzyme: Insight from theory 40
The contribution of density functional theory to the atomistic knowledge of electrochromic processes 40
Radical scavenging ability of gallic acid toward OH and OOH radicals. Reaction mechanism and rate constants from the density functional theory 39
Atomistic details of the Catalytic Mechanism of Fe(III)−Zn(II) Purple Acid Phosphatase 39
On the interaction of rubidium and cesium mono-, strontium and barium bi- cations with DNA and RNA bases. A Theoretical study 39
Tautomeric equilibria of 2- and 4-thiouracil in gas phase and in solvent: A density functional study 39
Mechanism of Thyroxine Deiodination by Naphthyl-Based Iodothyronine Deiodinase Mimics and the Halogen Bonding Role: A DFT Investigation 38
“AM1 semiempirical study of carcinogenic aromatic amines: the case of 2-amino-e-methylimidazo[4,5-f]quinoxaline (Iqx) and their methyl- and phenyl-derivatives”. 38
Promiscuous Ability of Human Carbonic Anhydrase: QM and QM/MM Investigation of Carbon Dioxide and Carbodiimide Hydration 38
Potential energy surfaces of metal-ligand interactions obtained using density functional theory 37
Geometries and stabilities of G center dot GC, T center dot AT, an C center dot GC nucleic acid base triplets 37
Human Insulin-Degrading Enzyme Working Mechanism 37
Molecular dynamics, density functional and second-order Moller-Plesset theory study of the structure and conformation of acetylcholine in vacuo and in solution 37
Peptide Hydrolysis by the Binuclear Zinc Enzyme Aminopeptidase from Aeromonas proteolytica: A Density Functional Theory Study 37
Chapter 2: Computational Enzymology: A Challenge for Multiscale Approaches 37
DFT investigation of the mismatched base pairs (T-Hg-T)3, (U-Hg-U)3 and d(T-Hg-T)2 and d(U-Hg-U)2 36
Gas-phase metal ion (Li+, Na+, Cu+) affinities of glycine and alanine 36
Totale 6.366
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Categoria #
all - tutte 46.514
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 46.514
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019119 0 0 0 0 0 0 0 0 0 4 115 0
2019/20201.304 131 120 6 130 82 324 104 162 27 28 138 52
2020/20212.200 145 3 138 147 3 141 26 137 1.174 145 20 121
2021/20221.497 10 221 5 67 121 58 8 372 16 20 214 385
2022/20231.935 187 205 61 259 291 187 7 209 234 56 123 116
2023/2024902 153 75 91 47 60 173 46 80 107 70 0 0
Totale 8.138