IRIS
DAIDONE, ISABELLA
 Distribuzione geografica
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Continente #
NA - Nord America 3.749
AS - Asia 2.138
EU - Europa 1.931
SA - Sud America 353
AF - Africa 35
Continente sconosciuto - Info sul continente non disponibili 8
OC - Oceania 1
Totale 8.215
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Nazione #
US - Stati Uniti d'America 3.680
SG - Singapore 960
IE - Irlanda 581
CN - Cina 479
BR - Brasile 315
HK - Hong Kong 287
RU - Federazione Russa 258
TR - Turchia 223
SE - Svezia 209
DE - Germania 207
GB - Regno Unito 150
UA - Ucraina 144
IT - Italia 139
FI - Finlandia 98
VN - Vietnam 64
FR - Francia 46
CA - Canada 33
MX - Messico 31
IN - India 27
BE - Belgio 21
ES - Italia 18
JP - Giappone 18
ZA - Sudafrica 18
AR - Argentina 16
PL - Polonia 14
IQ - Iraq 12
BD - Bangladesh 10
NL - Olanda 10
ID - Indonesia 9
EU - Europa 8
CZ - Repubblica Ceca 7
LT - Lituania 6
MA - Marocco 6
PK - Pakistan 6
UZ - Uzbekistan 6
AE - Emirati Arabi Uniti 5
AT - Austria 5
KR - Corea 5
VE - Venezuela 5
JO - Giordania 4
KE - Kenya 4
BG - Bulgaria 3
CO - Colombia 3
DK - Danimarca 3
PY - Paraguay 3
RO - Romania 3
AZ - Azerbaigian 2
BO - Bolivia 2
CI - Costa d'Avorio 2
CL - Cile 2
EC - Ecuador 2
IL - Israele 2
IR - Iran 2
KZ - Kazakistan 2
LB - Libano 2
PS - Palestinian Territory 2
UY - Uruguay 2
AL - Albania 1
AM - Armenia 1
BH - Bahrain 1
BT - Bhutan 1
BY - Bielorussia 1
CH - Svizzera 1
CY - Cipro 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
EE - Estonia 1
EG - Egitto 1
GL - Groenlandia 1
GT - Guatemala 1
GY - Guiana 1
HR - Croazia 1
JM - Giamaica 1
KG - Kirghizistan 1
LI - Liechtenstein 1
ML - Mali 1
MY - Malesia 1
NP - Nepal 1
NZ - Nuova Zelanda 1
OM - Oman 1
PE - Perù 1
PT - Portogallo 1
RS - Serbia 1
RW - Ruanda 1
SA - Arabia Saudita 1
SK - Slovacchia (Repubblica Slovacca) 1
SR - Suriname 1
SY - Repubblica araba siriana 1
TT - Trinidad e Tobago 1
TW - Taiwan 1
TZ - Tanzania 1
Totale 8.215
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Città #
Chandler 590
Dublin 578
Jacksonville 549
Singapore 466
Dallas 362
Hong Kong 283
Santa Clara 235
Boardman 217
Ashburn 199
Izmir 118
Nanjing 100
San Mateo 95
New York 94
Lawrence 83
Princeton 83
Wilmington 80
Moscow 71
Ann Arbor 60
Beijing 54
The Dalles 51
Los Angeles 49
L'aquila 36
Columbus 33
Hefei 31
Helsinki 31
Nanchang 31
São Paulo 30
Des Moines 29
Milan 29
Woodbridge 29
Council Bluffs 23
Seattle 23
Munich 22
Shenyang 22
Brussels 21
Shanghai 20
Berlin 19
Rome 19
Verona 19
Ho Chi Minh City 18
Changsha 16
Denver 16
Kunming 16
Tokyo 16
Hanoi 15
Mountain View 15
Orem 15
Phoenix 15
Hebei 14
Stockholm 14
Johannesburg 13
Rio de Janeiro 13
Zhengzhou 13
Houston 12
Jiaxing 12
Poplar 12
Tianjin 12
Warsaw 12
Norwalk 11
Falkenstein 10
Grafing 10
London 10
Montreal 10
Atlanta 9
Belo Horizonte 9
Chennai 9
Mexico City 9
Brasília 8
Falls Church 8
Jakarta 8
Porto Alegre 8
San Francisco 8
Washington 8
Brooklyn 7
Jinan 7
Lappeenranta 7
Paris 7
Querétaro 7
Toronto 7
Ankara 6
Boston 6
Guangzhou 6
Ningbo 6
Nuremberg 6
Turku 6
Cedar Knolls 5
Chicago 5
Curitiba 5
Monterosi 5
Tashkent 5
Amman 4
Brno 4
Calgary 4
Charlotte 4
Guarulhos 4
Haiphong 4
Hangzhou 4
Lanzhou 4
Manchester 4
Mogi das Cruzes 4
Totale 5.431
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Nome #
Computational investigation of the electron transfer complex between neuroglobin and cytochrome c 134
Theoretical-computational characterization of the temperature-dependent folding thermodynamics of a β-hairpin peptide 133
Structural and dynamical properties of KTS-disintegrins: a comparison between Obtustatin and Lebestatin 131
Extending the essential dynamics analysis to investigate molecular properties: Application to the redox potential of proteins 128
Alternative Electron-Transfer Channels Ensure Ultrafast Deactivation of Light-Induced Excited States in Riboflavin Binding Protein 126
Theoretical modeling of the absorption spectrum of aqueous riboflavin 123
Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces 117
Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution. 115
On the nature of solvatochromic effect: The riboflavin absorption spectrum as a case study 115
A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy 112
A few key residues determine the high redox potential shift in azurin mutants 110
Parallel folding pathways of Fip35 WW domain explained by infrared spectra and their computer simulation 109
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding 108
A general statistical mechanical model for fluid system thermodynamics: Application to sub- and super-critical water 108
Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amylolid polypeptide in explicit water RID C-3715-2011 107
Essential dynamics: foundation and applications 103
Theoretical-computational modelling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations 101
Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species 101
Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism RID A-2126-2010 100
A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra 99
Segregation on the nanoscale coupled to liquid water polyamorphism in supercooled aqueous ionic-liquid solution 99
Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study 98
Evidence of a Thermodynamic Ramp for Hole Hopping to Protect a Redox Enzyme from Oxidative Damage 98
Plasmon-enhanced circular dichroism spectroscopy of chiral drug solutions 96
High density water clusters observed at high concentrations of the macromolecular crowder PEG400 96
Alteration of Water Structure by Peptide Clusters Revealed by Neutron Scattering in the Small-Angle Region (below 1 Å−1) 95
A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies 94
Tip-Enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patches 94
Mechanism of DNA Recognition by the Restriction Enzyme EcoRV 92
Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments 92
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties 92
Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulation 89
Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution 88
On the origin of IR spectral changes upon protein folding 87
Common Folding Mechanism of a beta-Hairpin Peptide via Non-native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations 87
Conformational Change in the Mechanism of Inclusion of Ketoprofen in β-Cyclodextrin: NMR Spectroscopy, Ab Initio Calculations, Molecular Dynamics Simulations, and Photoreactivity 87
beta-hairpin conformation of fibrillogenic peptides: Structure and alpha-beta transition mechanism revealed by molecular dynamics simulations 86
Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde 86
Difference mid-IR nanospectroscopy on individual patches of purple membranes: The proton pump activity of bacteriorhodopsin at the nanoscale 86
Length-scale dependence of protein hydration-shell density 86
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory 85
On the structural affinity of macromolecules with different biological properties: molecular dynamics simulations of a series of TEM-1 mutants 84
β-Structure within the Denatured State of the Helical Protein Domain BBL 84
Low, high and very-high density forms of liquid water revealed by a medium-range order descriptor 84
Aggregation of small peptides studied by molecular dynamics simulations 83
Surface Packing Determines the Redox Potential Shift of Cytochrome c Adsorbed on Gold 83
How the reorganization free energy affects the reduction potential of structurally homologous cytochromes 82
Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations 82
Molecular dynamics simulation of sperm whale myoglobin: Effects of mutations and trapped CO on the structure and dynamics of cavities 81
Unambiguous assignment of reduction potentials in diheme cytochromes 80
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 80
Evidence for a high pK a of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach 79
Fully Atomistic Multiscale Approach for pKa Prediction 78
Simulation of the Amide I Infrared Spectrum in Photoinduced Peptide Folding/Unfolding Transitions 78
Nanophotonics-based chiroptical sensing of drug solutions 78
Molecular Origin of Gerstmann-Straussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide 76
Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico 76
Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the haem carbon monoxide binding-unbinding reaction in myoglobin 75
A general theoretical model for electron transfer reactions in complex systems 75
Theoretical characterization of alpha-helix and beta-hairpin folding kinetics RID B-7035-2008 73
Analysis of Infrared Spectra of beta-Hairpin Peptides As Derived from Molecular Dynamics Simulations 73
Selective excitation of native fluctuations during thermal unfolding simulations: Horse heart cytochrome c as a case study RID C-5164-2009 73
New Insight into the IR-Spectra/Structure Relationship in Amyloid Fibrils: A Theoretical Study on a Prion Peptide 73
Subdiffusion in peptides originates from the fractal-like structure of configuration space 73
Molecular dynamics simulation of protein folding by essential dynamics sampling: Folding landscape of horse heart cytochrome c 72
Protein Folding Pathways Revealed by Essential Dynamics Sampling 71
Interpretation of Experimental Soret Bands of Porphyrins in Flexible Covalent Cages and in Their Related Ag(I) Fixed Complexes 70
Configurational subdiffusion of peptides: A network study 69
The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential 69
Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach 69
Thermodynamic and kinetic characterization of a beta-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water 67
Photoexcitation and relaxation kinetics of molecular systems in solution: Towards a complete: In silico model 66
Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide Chains 66
A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent 65
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 65
Instantaneous Normal Modes and the Protein Glass Transition RID A-1868-2010 64
Cooperative protein-solvent tuning of proton transfer energetics: Carbonic anhydrase as a case study 64
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease 64
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor 63
Modeling quantum vibrational excitations in condensed phase molecular systems 62
Mechanisms in the Synthesis of S‐Alcohols with 1,4‐NADH Biomimetic Co‐factor N‐Benzyl‐1,4‐dihydronicotinamide using Horse Liver Alcohol Dehydrogenase: A Hybrid Computational Study 61
Unveiling cofactor inhibition mechanisms in horse liver alcohol dehydrogenase: An allosteric driven regulation 60
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 59
Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin 59
Allosteric Control of Naphthalene Diimide Encapsulation and Electron Transfer in Porphyrin Containers: Photophysical Studies and Molecular Dynamics Simulation 58
Investigating the accessibility of the closed domain conformation of citrate synthase using essential dynamics sampling 57
High Water Density at Non-Ice-Binding Surfaces Contributes to the Hyperactivity of Antifreeze Proteins 57
A combined experimental and computational approach for the rationalization of the catalytic activity of lipase B from Candida antarctica in water-organic solvent mixtures 57
Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers 55
Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II 55
Toward a Realistic Modeling of the Photophysics of Molecular Building Blocks for Energy Harvesting: The Charge-Transfer State in 4,7-Dithien-2-yl-2,1,3-benzothiadiazole As a Case Study 55
Low- and high-density forms of liquid water revealed by a new medium-range order descriptor 54
Macromolecular vs molecular crowding in aqueous solutions: A comparative study of PEG400 and ethylene glycol 53
Structural and dynamic behaviour of concentrated aqueous solutions of (poly)ethylene glycols: Insight into the impact of hydrophobicity, hydrogen bonding and chain length 52
Enhanced connectivity and mobility in liquid water: Implications for the high density liquid structure and its onset 50
Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases 48
Tuning proton transfer thermodynamics in SARS-CoV-2 main protease: Implications for catalysis and inhibitor design 47
Mechanism and Dynamics of Photodecarboxylation Catalyzed by Lactate Monooxygenase 46
Unique Electron Donor-Acceptor Complex Conformation Ensures Both the Efficiency and Enantioselectivity of Photoinduced Radical Cyclization in a Non-natural Photoenzyme 45
Tuning the low-temperature phase behavior of aqueous ionic liquids 42
Totale 8.132
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Categoria #
all - tutte 39.498
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 39.498
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021365 0 0 0 0 0 22 79 2 73 31 134 24
2021/2022466 24 38 77 24 17 18 9 49 39 2 36 133
2022/20231.681 111 104 34 160 146 175 0 124 741 8 50 28
2023/2024417 61 18 23 55 32 87 7 34 0 21 19 60
2024/20251.973 50 55 140 68 307 169 341 177 385 43 143 95
2025/20261.888 188 342 264 465 476 153 0 0 0 0 0 0
Totale 8.360