Distribuzione geografica
Continente #
EU - Europa 2971
NA - Nord America 2613
AS - Asia 349
Continente sconosciuto - Info sul continente non disponibili 12
SA - Sud America 6
OC - Oceania 4
Totale 5955
Nazione #
US - Stati Uniti d'America 2606
IT - Italia 1133
IE - Irlanda 637
SE - Svezia 439
UA - Ucraina 212
DE - Germania 201
TR - Turchia 175
GB - Regno Unito 110
BE - Belgio 66
AT - Austria 59
FI - Finlandia 50
VN - Vietnam 48
CN - Cina 46
IL - Israele 32
RU - Federazione Russa 15
IR - Iran 14
FR - Francia 13
IN - India 12
EU - Europa 11
JP - Giappone 9
CA - Canada 7
GR - Grecia 7
NL - Olanda 7
PT - Portogallo 5
AU - Australia 4
BR - Brasile 4
PL - Polonia 4
DK - Danimarca 3
PK - Pakistan 3
CH - Svizzera 2
HU - Ungheria 2
LK - Sri Lanka 2
TW - Taiwan 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AR - Argentina 1
CL - Cile 1
CZ - Repubblica Ceca 1
ES - Italia 1
LU - Lussemburgo 1
MM - Myanmar 1
MT - Malta 1
MY - Malesia 1
NO - Norvegia 1
NP - Nepal 1
PH - Filippine 1
RO - Romania 1
SA - Arabia Saudita 1
SG - Singapore 1
Totale 5955
Città #
Chandler 683
Dublin 637
Pisa 597
Jacksonville 503
Wilmington 197
Izmir 174
Ann Arbor 146
Scuola 120
Millbury 119
Boston 118
Ashburn 92
Mestre 90
Brussels 65
San Mateo 65
Düsseldorf 62
Milan 61
San Paolo di Civitate 59
Vienna 59
Lawrence 52
Princeton 51
Boardman 48
Dong Ket 48
Seattle 47
Voghera 43
Bremen 31
Holon 30
Woodbridge 28
Florence 17
Redmond 16
Dearborn 14
Berlin 13
Rome 13
Sacramento 13
Norwalk 12
Beijing 10
Bientina 10
Andover 8
Hefei 8
Houston 7
London 7
Cusano Milanino 6
Leawood 6
Nanjing 6
Nardò 6
Saint Petersburg 6
Udine 6
Auburn Hills 5
Fairfield 5
Hanover 5
Kyoto 5
Los Angeles 5
Padova 5
San Diego 5
Athens 4
Falls Church 4
Grosseto 4
São Paulo 4
Toronto 4
Verona 4
Bologna 3
Cambridge 3
Coimbra 3
Genova 3
Guangzhou 3
Islamabad 3
Jinan 3
Nanchang 3
Napoli 3
New Delhi 3
New York 3
Paris 3
Tours 3
Amsterdam 2
Budapest 2
Clearwater 2
Colombo 2
Frankfurt am Main 2
Fremont 2
Ioánnina 2
Mariano Comense 2
Melbourne 2
Palermo 2
Phoenix 2
Stockholm 2
Taipei 2
Tel Aviv 2
Terranuova 2
Trieste 2
Wenzhou 2
Winnipeg 2
Zanjan 2
Antwerpen 1
Asahi 1
Baotou 1
Bhopal 1
Brisbane 1
Bucharest 1
Buffalo 1
Busto Arsizio 1
Cagliari 1
Totale 4554
Nome #
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 151
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 136
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 126
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 120
Virtual reality tools for advanced modeling 119
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 111
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 100
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 99
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach 99
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 93
An X-ray diffraction and X-ray absorption spectroscopy joint study of neuroglobin 92
A fast redox-induced switching mechanism in a conformationally controllable molecular thread in solution 91
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water 90
An amber compatible molecular mechanics force field for the anticancer drug topotecan 90
In Silico Study of Molecular-Engineered Nanodevices: A Lockable Light-Driven Motor in Dichloromethane Solution 88
Boundary condition effects on the dynamic and electric properties of hydration layers 88
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 88
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: a Test Case for Continuum and Explicit-Continuum approaches 88
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 88
A Coupled Molecular Dynamics and XANES Data Analysis Investigation of Aqueous Cadmium(II) 87
X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts 86
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 85
Solvent Effects on the Valence UV-VIS Absorption Spectra of Topotecan Anticancer Drug in Aqueous Solution at Room Temperature: A Nanoseconds Time-Scale TD-DFT/MD Computational Study 85
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 85
Structural and Dynamical Effects Induced by the Anticancer Drug Topotecan on the Human Topoisomerase I 84
XANES Reveals the Flexible Nature of Hydrated Strontium in Aqueous Solution 84
Evidence of the crucial role of the linker domain on the catalytic activity of human topoisomerase I by experimental and simulative characterization of the Lys681Ala mutant 83
X-ray Absorption Studies on the N-terminal Copper-binding Region of Haemophilus ducreyi Cu, Zn Superoxide Dismutase 83
Molecular Modelling Of BCRP (ABCG2) Multidrug Resistance Protein And Docking Of New Camptothecin Analogues 83
Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments 82
Binding of an Indenoisoquinoline to the topoisomerase-DNA complex induces reduction of linker mobility and strengthening of protein-DNA interaction 82
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 82
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study. 82
Towards the SMART workflow system for computational spectroscopy 81
Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study 80
Quantitative analysis of deconvolved X-ray absorption near-edge structure spectra: a tool to push the limits of the X-ray absorption spectroscopy technique 80
Structural Investigation of Lanthanoid Coordination: a Combined XANES and Molecular Dynamics Study 80
Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control 78
Introducing an artificial photo-switch into a biological pore: A model study of an engineered α-hemolysin 78
Neutral molecular shuttle in acetonitrile dilute solution: new insights from molecular dynamics and density functional theory 78
Organic solvent simulations under non-periodic boundary conditions: A library of effective potentials for the GLOB model 77
Erratum: The Italian national project of astrobiology-life in space-origin, presence, persistence of life in space, from molecules to extremophiles (Astrobiology (2020) 20:5 (580-582) DOI: 10.1089/ast.2020.2247) 73
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 73
Integrated experimental and theoretical approach for the structural characterization of Hg2+aqueous solutions 72
Graphical Interfaces and Virtual Reality for Molecular Sciences 72
Hydration properties of the Zn2+ ion in water at high pressure 71
Effects of the pathological Q212P mutation on human prion protein non-octarepeat copper-binding site 71
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 71
F429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics Simulations 69
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 68
Evidence for sevenfold coordination in the first solvation shell of Hg(II) aqua ion 67
Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code 66
Signatures of selection in five Italian cattle breeds detected by a 54K SNP panel 64
Force Field Parametrization of Metal Ions from Statistical Learning Techniques 64
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 64
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approach 64
Association between single nucleotide polymorphisms (SNPs) and milk production traits in Italian Brown cattle 63
On the coordination of Zn2+ion in Tf2N-based ionic liquids: Structural and dynamic properties depending on the nature of the organic cation 61
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties 61
Mechanistic insights into metal ions transit through threefold ferritin channel 61
Relative extended haplotype homozygosity signals across breeds reveal dairy and beef specific signatures of selection 60
Ion hydration in high-density water 60
Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations 59
New atomistic model of pyrrole with improved liquid state properties and structure 59
Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models 59
Carbon monoxide binding to the heme group at the dimeric interface modulates structure and copper accessibility in the Cu,Zn superoxide dismutase from Haemophilus ducreyi: in silico and in vitro evidences 58
Assessment of Multi-Scale Approaches for Computing UV-Vis Spectra in Condensed Phases: Toward an Effective yet Reliable Integration of Variational and Perturbative QM/MM Approaches 56
UV−Vis Spectra of the Anticancer Campothecin Family Drugs in Aqueous Solution: Specific Spectroscopic Signatures Unraveled by a Combined Computational and Experimental Study 55
Identification of a short region on chromosome 6 affecting direct calving ease in Piedmontese cattle breed 55
Systematic Study on the Absorption Features of Interstellar Ices in the Presence of Impurities 55
The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion 54
Genome assembly and transcriptome resource for river buffalo, Bubalus bubalis (2n = 50) 52
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 52
Analysis of L-DOPA and droxidopa binding to human β2-adrenergic receptor 45
Molecular Perception for Visualization and Computation: The Proxima Library 40
Elusive Coordination of the Ag+Ion in Aqueous Solution: Evidence for a Linear Structure 37
Molecular dynamics simulations enforcing nonperiodic boundary conditions: new developments and application to the solvent shifts of nitroxide magnetic parameters 36
Development, validation, and pilot application of a generalized fluctuating charge model for computational spectroscopy in solution 34
Integration of theory, simulation, artificial intelligence and virtual reality: A four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy 33
Deciphering Copper Coordination in the Mammalian Prion Protein Amyloidogenic Domain 33
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV–Vis Spectrum of TEMPO Radical in Different Solvents 30
Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry and artificial intelligence: the puzzling case of homocysteine 29
Fast exploration of Potential Energy Surfaces with a joint venture of Quantum Chemistry, Evolutionary Algorithms and Unsupervised Learning 18
Totale 6198
Categoria #
all - tutte 15546
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 15546

Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2017/201878 0000 00 00 2939100
2018/2019334 65173 161 2911 3519174
2019/2020475 2770113 7314 9821 7013750
2020/2021796 7413933 7037 7181 6614627115
2021/2022710 272329 4214 2160 294245396
2022/20233003 191272153262 189289 34733 880000
Totale 6198