IRIS
MARINO, Tiziana
 Distribuzione geografica
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Continente #
NA - Nord America 4369
EU - Europa 2141
AS - Asia 277
AF - Africa 86
SA - Sud America 12
Continente sconosciuto - Info sul continente non disponibili 11
OC - Oceania 11
Totale 6907
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Nazione #
US - Stati Uniti d'America 3146
CA - Canada 1221
UA - Ucraina 970
DE - Germania 474
AT - Austria 222
SE - Svezia 212
IT - Italia 170
CN - Cina 130
TR - Turchia 125
SN - Senegal 85
BE - Belgio 23
FI - Finlandia 19
FR - Francia 19
GB - Regno Unito 15
AU - Australia 11
EU - Europa 11
RU - Federazione Russa 6
BR - Brasile 5
IN - India 4
JP - Giappone 4
HK - Hong Kong 3
NL - Olanda 3
AR - Argentina 2
ID - Indonesia 2
IL - Israele 2
PE - Perù 2
PL - Polonia 2
SG - Singapore 2
BO - Bolivia 1
BY - Bielorussia 1
CL - Cile 1
CR - Costa Rica 1
EC - Ecuador 1
ES - Italia 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 6907
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Città #
Montréal 1154
Chandler 838
Jacksonville 608
San Mateo 323
Dearborn 316
Vienna 204
Roxbury 149
Lawrence 145
Izmir 115
Des Moines 95
Dakar 85
Rende 68
Ann Arbor 64
Bremen 58
Ottawa 53
Wilmington 52
Brooklyn 50
Beijing 48
Inglewood 38
San Francisco 27
Grafing 26
Boardman 25
Brussels 23
Cambridge 23
Helsinki 19
Houston 13
Jinan 13
Toronto 12
Redwood City 10
Nanjing 9
Hefei 8
Nanchang 8
Chicago 7
Ashburn 6
Rome 6
Woodbridge 6
Cosenza 5
Hanover 5
Kunming 5
London 5
Melbourne 5
Monmouth Junction 5
Zhengzhou 5
Messina 4
Pozzuoli 4
Strasbourg 4
São Paulo 4
Andover 3
Berlin 3
Canberra 3
Carmiano 3
Catanzaro 3
Changping 3
Duncan 3
Frankfurt am Main 3
Genova 3
Guangzhou 3
Haikou 3
Lanzhou 3
Milan 3
New York 3
Paris 3
Pushchino 3
Redmond 3
Shenyang 3
Sydney 3
Taizhou 3
Tokyo 3
Amsterdam 2
Boydton 2
Changsha 2
Cinisello Balsamo 2
Fairfield 2
Falls Church 2
Hebei 2
Kocaeli 2
Lima 2
Napoli 2
Ningbo 2
Reggio Calabria 2
Rishon LeTsiyyon 2
Singapore 2
Stockholm 2
Taiyuan 2
Temecula 2
Warsaw 2
Amendolara 1
Ardabil 1
Aveiro 1
Bangkok 1
Baotou 1
Bollebygd 1
Bologna 1
Borzonasca 1
Budapest 1
Buenos Aires 1
Böblingen 1
Central 1
Charlotte 1
Colombo 1
Totale 4868
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Nome #
Insights into the Catalytic Mechanism of Domains CD1 and CD2 in Histone Deacetylase 6 from Quantum Calculations 1188
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE 84
The antioxidant capability of higenamine: Insights from theory 78
Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations 69
Insight on the chelation of aluminum(III) and iron(III) by curcumin in aqueous solution 67
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 66
Aluminum(III), iron(III) and copper(II) complexes of luteolin: stability, antioxidant and anti-inflammatory properties 65
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 63
Can Fused Thiophene-Pyrrole Containing Rings act as Possible New Electrochromic Dyes ? A Computational Prediction 61
A promising marriage between theory and experiment : density functional method versus mass spectrometry 61
Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation 59
Assessment of Approximate Density Functional Methods for the Study of the Interactions of Al(III) with Aromatic Amino Acids 59
Effect of Copper on the Mitochondrial Carnitine/Acylcarnitine Carrier Via Interaction with Cys136 and Cys155. Possible Implications in Pathophysiology 58
A theoretical study on tautomerization process of dehydrated and monohydrated cytosine 57
A theoretical study on tautomerization processes of dehydrated and monohydrated cytosine 55
Molecular mechanics and dynamic of a- and b -amanitin 54
Complexation behaviour of caffeic, ferulic and p-coumaric acids towards aluminium cation: a combined experimental and theoretical approach 54
Quantum mechanical DFT elucidation of CO2catalytic conversion mechanisms: Three examples 54
On the Electrochromic Properties of Borepins: A Computational Prediction 54
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 54
A Review on Coordination Properties of Al(III) and Fe(III) toward Natural Antioxidant Molecules: Experimental and Theoretical Insights 54
Antioxidant properties of phenolic compounds: H-atom versus electron transfer mechanism 53
Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation 53
Antioxidant properties of the Vam3 derivative of resveratrol 53
A Comparative Study of the Catalytic Mechanisms of the Zinc and Cadmium Containing Carbonic Anhydrase 52
Chemical Insights intothe AntioxidantMechanismsofAlkylseleno and Alkyltelluro Phenols:Periodic Relatives Behaving Differently 52
A Detailed Investigation on the Catalytic Mechanism of Fe(III)-Zn(II) Purple Acid Phosphatase 52
Potential Energy Surfaces for the Gas-Phase Interaction between α-Alanine and Alkali Metal Ions (Li+, Na+, K+). A Density Functional Study 51
Explicit Water Molecules Play aKey Role in the Mechanism of Rhodium-Substituted Human Carbonic Anhydrase 50
COMBINED MOLECULAR MECHANICS, MOLECULAR DYNAMICS AND QUANTUM MECHANICAL STUDY OF (1)-MULTIFIDENE STRUCTURE AND CONFORMATION 47
Insights into the coordination mode of quercetin with the Al(III) ion from a combined experimental and theoretical study 46
Interaction of the Mn2+, Co2+, Ni2+, and Zn2+ with Prion Protein HGGGW Pentapeptide Model 45
Interaction of Cu+ and Cu2+ ions with a-alanine. A density functional study 45
Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models 45
A micro-environmental study of the Zn+2–Aβ1–16 structural properties 45
A Proposal for Mitochondrial Processing Peptidase Catalytic Mechanism 44
Catalytic activity of a æ-class zinc and cadmium containing carbonic anhydrase. Compared work mechanisms 44
Food Antioxidants: Chemical Insights at the Molecular Level 44
Probing of the tautomeric amino-oxo vs imino-oxo equilibrium of substituted deoxycytidines by fast atom bombardment mass spectrometry 44
The role of glutathione in cadmium ion detoxi.cation: Coordination modes and binding properties – A density functional study 44
Structural and Binding Properties of Metal Ion Chelators Relevant to Alzheimer’s Disease. A Theoretical Investigation 43
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics 43
QM cluster or QM/MM in computational enzymology: The test case of LigW-decarboxylase 43
Density functional study of oxo-hydroxy tautomerism of 5-fluorouracil 42
Density Functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent 42
The performance of density functional based methods in the description of selected biological systems and processes 42
Computational mechanistic insights on the NO oxidation reaction catalyzed by non-heme biomimetic Cr-N-tetramethylated cyclam complexes 42
Density functional computations of proton affinity and gas-phase basicity of proline 41
Catalytic mechanism of the arylsulfatase promiscuous enzyme from Pseudomonas aeruginosa 41
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 41
Molecular mechanics and dynamics of a- and b-amanitin 41
Interaction of Li+, Na+, and K+ with the Proline Amino Acid. Complexation Modes, Potential Energy Profiles, and Metal Ion Affinities 41
Hydrolase–like catalysis and structural resolution of natural products by a metal–organic framework 41
Theoretical investigation on DNA/RNA base pairs mediated by copper, silver, and gold cations 40
Site-Selective Methylation of Nβ-Nosyl Hydrazides of N-Nosyl Protected α-Amino Acids 40
"Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: Insights from theory" 40
Structural characterization of aluminium(III) and iron(III) complexes of coumarinic acid in aqueous solutions from combined experimental and theoretical investigations 40
Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation 40
The effects of the metal ion substitution into the active site of metalloenzymes: A theoretical insight on some selected cases 40
The contribution of density functional theory to the atomistic knowledge of electrochromic processes 40
Oxidation Mechanism of Methionine by HO• Radical: A Theoretical Study 39
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 39
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 39
The Catalytic Mechanism of Human Transketolase 39
“Structure and properties of a copper-mediated nucleobase pair from density functional theory investigation” 38
The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid–platinum(II) anticancer complex 38
Radical scavenging ability of gallic acid toward OH and OOH radicals. Reaction mechanism and rate constants from the density functional theory 38
Ab Initio Study of Microsolvated Al3+−Aromatic Amino Acid Complexes 38
How the lanthanide ions affect the addtion-elimination step of methanol dehydrogenases 38
The Hydration of Aromatic Nitriles Catalyzed by Mn-OH Complexes: a Rationalization from Quantum Chemical Investigations 38
Conformational behaviour of antineoplastic peptides Dolastatin 10 and Dolastatin 15 from Monte Carlo and Molecular Dynamics simulations 37
TDDFT investigation on Methylviologen, 3,7-diazabenzophosphole and helical helquat electrochromic systems 37
"Density functional theory as a tool for the prediction of the properties in molecules with biological and pharmacological significance" 37
Experimental and theoretical study on the coordination properties of quercetin towards aluminum(III), iron(III) and copper(II) in aqueous solution 37
Atomistic details of the Catalytic Mechanism of Fe(III)−Zn(II) Purple Acid Phosphatase 37
Potential energy surfaces of metal-ligand interactions obtained using density functional theory 36
Geometries and stabilities of G center dot GC, T center dot AT, an C center dot GC nucleic acid base triplets 36
“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”. 36
A deeper insight on the radical scavenger activity of two simple coumarins toward OOH radical 36
On the interaction of rubidium and cesium mono-, strontium and barium bi- cations with DNA and RNA bases. A Theoretical study 36
How can work methanol dehydrogenase from Methylacidiphilum fumariolicum with the alien Ce(III) ion in the active center? A theoretical study 36
Promiscuous Ability of Human Carbonic Anhydrase: QM and QM/MM Investigation of Carbon Dioxide and Carbodiimide Hydration 36
Molecular dynamics, density functional and second-order Moller-Plesset theory study of the structure and conformation of acetylcholine in vacuo and in solution 35
On the use of density functional theory in the study of metal-ligand interactions. Some studied cases 35
Tautomeric equilibria of 2- and 4-thiouracil in gas phase and in solvent: A density functional study 35
Chalcogen Effects in the Photophysical Properties of Dimethylamino-1,8-naphthalimide Dyes Revealed by DFT Investigation 35
Theoretical Comparison between Structural and Dynamical Features of Dolastatins 11 and 12 Antineoplastic Depsipeptides 34
Potential energy surfaces of metal-ligand interaction obtained using density functional theory 34
Potential Energy Surfaces for Reaction Catalyzed by Metalloenzymes from Quantum Chemical Computations 34
" The conformational properties of (-)-Dolastatin 10, A powerful Antineoplastic Agent" 34
Peptide Hydrolysis by the Binuclear Zinc Enzyme Aminopeptidase from Aeromonas proteolytica: A Density Functional Theory Study 34
Conformational behaviour of 1,4-dihydronicotinamide and protonated nicotinamide in vacuo and in solvent. A Density functional Study 34
Structural Characterization of Peripolin and Study of Antioxidant Activity of HMG Flavonoids from Bergamot Fruit 33
Theoretical Study of Silver-Ion-Mediated Base Pairs: The Case of C–Ag–C and C–Ag–A Systems 33
Role of copper ion in the structural and dynamic properties of prion protein 33
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 33
" Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives" 33
Why hydroxy-proline improves the catalytic power of the peptidoglycan: N -deacetylase enzyme: Insight from theory 33
Molecular orbital study of the protonation of dA, dG, dC and dT 2'- deoxyribonucleosides 32
Proton affinities and intrinsic basicities of alanine and glycine studied by means of AM1 and PM3 methods 32
Totale 5573
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Categoria #
all - tutte 22962
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 22962
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/201826 0000 00 00 40121
2018/2019256 3321 1153 15 441150
2019/20201304 1311206130 82324 104162 272813852
2020/20212200 1453138147 3141 26137 117414520121
2021/20221497 10221567 12158 8372 1620214385
2022/20231724 19121062262 292191 67236 213000
Totale 7025