IRIS
DAIDONE, ISABELLA
 Distribuzione geografica
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Continente #
NA - Nord America 2.753
EU - Europa 1.495
AS - Asia 866
SA - Sud America 56
Continente sconosciuto - Info sul continente non disponibili 8
AF - Africa 3
OC - Oceania 1
Totale 5.182
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Nazione #
US - Stati Uniti d'America 2.743
IE - Irlanda 579
CN - Cina 338
SG - Singapore 286
TR - Turchia 215
SE - Svezia 199
DE - Germania 172
UA - Ucraina 138
IT - Italia 124
GB - Regno Unito 114
FI - Finlandia 77
BR - Brasile 53
FR - Francia 39
BE - Belgio 16
CA - Canada 9
EU - Europa 8
RU - Federazione Russa 8
CZ - Repubblica Ceca 6
NL - Olanda 6
BD - Bangladesh 3
BG - Bulgaria 3
DK - Danimarca 3
HK - Hong Kong 3
IN - India 3
IQ - Iraq 3
PK - Pakistan 3
AE - Emirati Arabi Uniti 2
AR - Argentina 2
RO - Romania 2
VN - Vietnam 2
ZA - Sudafrica 2
AL - Albania 1
AT - Austria 1
BO - Bolivia 1
BT - Bhutan 1
EE - Estonia 1
ES - Italia 1
GL - Groenlandia 1
HR - Croazia 1
IL - Israele 1
IR - Iran 1
JO - Giordania 1
JP - Giappone 1
KZ - Kazakistan 1
LB - Libano 1
LI - Liechtenstein 1
NZ - Nuova Zelanda 1
OM - Oman 1
PL - Polonia 1
PT - Portogallo 1
SK - Slovacchia (Repubblica Slovacca) 1
TZ - Tanzania 1
Totale 5.182
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Città #
Chandler 590
Dublin 577
Jacksonville 549
Boardman 217
Santa Clara 210
Singapore 192
Izmir 117
Nanjing 100
San Mateo 95
Lawrence 83
Princeton 83
Wilmington 80
Ashburn 77
Ann Arbor 60
New York 46
L'aquila 36
Nanchang 31
Des Moines 29
Woodbridge 29
Milan 27
Shenyang 22
Berlin 19
Helsinki 19
Los Angeles 19
Seattle 19
Shanghai 19
Verona 19
Brussels 16
Changsha 16
Kunming 16
Dallas 15
Mountain View 15
Hebei 14
Zhengzhou 13
Jiaxing 12
Rome 12
Tianjin 12
Grafing 10
Norwalk 10
Falls Church 8
Washington 8
Jinan 7
Munich 6
Ningbo 6
Beijing 5
Cedar Knolls 5
Monterosi 5
Toronto 5
Brno 4
Guangzhou 4
Houston 4
Lanzhou 4
Lappeenranta 4
Philadelphia 4
Stockholm 4
Changchun 3
Handan 3
Montesilvano Marina 3
Paris 3
Rio de Janeiro 3
Shenzhen 3
Shijiazhuang 3
Sofia 3
Auburn Hills 2
Belo Horizonte 2
Betim 2
Brasília 2
Copenhagen 2
Dong Ket 2
Dubai 2
Glasgow 2
Irvine 2
Lahore 2
London 2
Messina 2
Moscow 2
Narail 2
Parma 2
Pune 2
Reston 2
São José dos Campos 2
São Paulo 2
Taizhou 2
Tappahannock 2
West Jordan 2
Xingtai 2
Yangling 2
Almaty 1
Amman 1
Andover 1
Ankara 1
Aracaju 1
Arapoema 1
Auckland 1
Baghdad 1
Barreirinhas 1
Beauharnois 1
Boynton Beach 1
Bratislava 1
Bremen 1
Totale 3.693
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Nome #
Computational investigation of the electron transfer complex between neuroglobin and cytochrome c 104
Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amylolid polypeptide in explicit water RID C-3715-2011 89
A few key residues determine the high redox potential shift in azurin mutants 89
Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution. 88
Theoretical-computational characterization of the temperature-dependent folding thermodynamics of a β-hairpin peptide 87
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding 86
Alternative Electron-Transfer Channels Ensure Ultrafast Deactivation of Light-Induced Excited States in Riboflavin Binding Protein 85
Extending the essential dynamics analysis to investigate molecular properties: Application to the redox potential of proteins 84
Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism RID A-2126-2010 83
Structural and dynamical properties of KTS-disintegrins: a comparison between Obtustatin and Lebestatin 83
Theoretical modeling of the absorption spectrum of aqueous riboflavin 80
Theoretical-computational modelling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations 79
Essential dynamics: foundation and applications 79
Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces 79
A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra 77
Alteration of Water Structure by Peptide Clusters Revealed by Neutron Scattering in the Small-Angle Region (below 1 Å−1) 76
Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution 73
beta-hairpin conformation of fibrillogenic peptides: Structure and alpha-beta transition mechanism revealed by molecular dynamics simulations 72
Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species 72
Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulation 71
Common Folding Mechanism of a beta-Hairpin Peptide via Non-native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations 71
Mechanism of DNA Recognition by the Restriction Enzyme EcoRV 70
A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies 70
A general statistical mechanical model for fluid system thermodynamics: Application to sub- and super-critical water 70
On the origin of IR spectral changes upon protein folding 69
Unambiguous assignment of reduction potentials in diheme cytochromes 68
On the nature of solvatochromic effect: The riboflavin absorption spectrum as a case study 66
Conformational Change in the Mechanism of Inclusion of Ketoprofen in β-Cyclodextrin: NMR Spectroscopy, Ab Initio Calculations, Molecular Dynamics Simulations, and Photoreactivity 66
How the reorganization free energy affects the reduction potential of structurally homologous cytochromes 65
Aggregation of small peptides studied by molecular dynamics simulations 65
Molecular dynamics simulation of sperm whale myoglobin: Effects of mutations and trapped CO on the structure and dynamics of cavities 65
A general theoretical model for electron transfer reactions in complex systems 64
Parallel folding pathways of Fip35 WW domain explained by infrared spectra and their computer simulation 64
Low, high and very-high density forms of liquid water revealed by a medium-range order descriptor 63
Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments 62
β-Structure within the Denatured State of the Helical Protein Domain BBL 62
Evidence of a Thermodynamic Ramp for Hole Hopping to Protect a Redox Enzyme from Oxidative Damage 62
Segregation on the nanoscale coupled to liquid water polyamorphism in supercooled aqueous ionic-liquid solution 61
On the structural affinity of macromolecules with different biological properties: molecular dynamics simulations of a series of TEM-1 mutants 60
Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations 60
A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy 60
Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach 59
Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde 59
Simulation of the Amide I Infrared Spectrum in Photoinduced Peptide Folding/Unfolding Transitions 59
Surface Packing Determines the Redox Potential Shift of Cytochrome c Adsorbed on Gold 59
Molecular dynamics simulation of protein folding by essential dynamics sampling: Folding landscape of horse heart cytochrome c 58
Selective excitation of native fluctuations during thermal unfolding simulations: Horse heart cytochrome c as a case study RID C-5164-2009 58
The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential 58
Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study 57
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory 57
Molecular Origin of Gerstmann-Straussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide 56
Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico 56
Tip-Enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patches 55
Instantaneous Normal Modes and the Protein Glass Transition RID A-1868-2010 54
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties 54
Analysis of Infrared Spectra of beta-Hairpin Peptides As Derived from Molecular Dynamics Simulations 53
New Insight into the IR-Spectra/Structure Relationship in Amyloid Fibrils: A Theoretical Study on a Prion Peptide 53
Theoretical characterization of alpha-helix and beta-hairpin folding kinetics RID B-7035-2008 52
Difference mid-IR nanospectroscopy on individual patches of purple membranes: The proton pump activity of bacteriorhodopsin at the nanoscale 52
Configurational subdiffusion of peptides: A network study 51
Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide Chains 51
Subdiffusion in peptides originates from the fractal-like structure of configuration space 51
High density water clusters observed at high concentrations of the macromolecular crowder PEG400 51
Thermodynamic and kinetic characterization of a beta-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water 50
A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent 50
Protein Folding Pathways Revealed by Essential Dynamics Sampling 49
Length-scale dependence of protein hydration-shell density 49
Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the haem carbon monoxide binding-unbinding reaction in myoglobin 48
Modeling quantum vibrational excitations in condensed phase molecular systems 47
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 45
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 44
Fully Atomistic Multiscale Approach for pKa Prediction 44
Cooperative protein-solvent tuning of proton transfer energetics: Carbonic anhydrase as a case study 44
Investigating the accessibility of the closed domain conformation of citrate synthase using essential dynamics sampling 43
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 43
Interpretation of Experimental Soret Bands of Porphyrins in Flexible Covalent Cages and in Their Related Ag(I) Fixed Complexes 42
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease 39
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor 39
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 35
Allosteric Control of Naphthalene Diimide Encapsulation and Electron Transfer in Porphyrin Containers: Photophysical Studies and Molecular Dynamics Simulation 33
Low- and high-density forms of liquid water revealed by a new medium-range order descriptor 28
High Water Density at Non-Ice-Binding Surfaces Contributes to the Hyperactivity of Antifreeze Proteins 27
Evidence for a high pK a of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach 26
Photoexcitation and relaxation kinetics of molecular systems in solution: Towards a complete: In silico model 25
Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers 24
Tuning proton transfer thermodynamics in SARS-CoV-2 main protease: Implications for catalysis and inhibitor design 24
Macromolecular vs molecular crowding in aqueous solutions: A comparative study of PEG400 and ethylene glycol 19
Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II 18
Nanophotonics-based chiroptical sensing of drug solutions 17
Plasmon-enhanced circular dichroism spectroscopy of chiral drug solutions 16
A combined experimental and computational approach for the rationalization of the catalytic activity of lipase B from Candida antarctica in water-organic solvent mixtures 15
Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin 15
Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases 14
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 11
Mechanism and Dynamics of Photodecarboxylation Catalyzed by Lactate Monooxygenase 10
Structural analysis of water networks (vol 11, cnad001, 2023) 10
Structural and dynamic behaviour of concentrated aqueous solutions of (poly)ethylene glycols: Insight into the impact of hydrophobicity, hydrogen bonding and chain length 9
Enhanced connectivity and mobility in liquid water: Implications for the high density liquid structure and its onset 9
Tuning the low-temperature phase behavior of aqueous ionic liquids 6
Unveiling cofactor inhibition mechanisms in horse liver alcohol dehydrogenase: An allosteric driven regulation 6
Totale 5.285
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Categoria #
all - tutte 25.706
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 25.706
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020232 0 0 0 0 0 0 89 1 67 7 0 68
2020/2021590 10 71 0 74 70 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
2024/2025792 50 55 140 68 307 169 3 0 0 0 0 0
Totale 5.291