MANCINI, GIORDANO
 Distribuzione geografica
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Continente #
NA - Nord America 3.542
EU - Europa 3.109
AS - Asia 702
Continente sconosciuto - Info sul continente non disponibili 12
OC - Oceania 8
SA - Sud America 7
Totale 7.380
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Nazione #
US - Stati Uniti d'America 3.530
IT - Italia 1.200
IE - Irlanda 660
SE - Svezia 442
CN - Cina 267
DE - Germania 212
UA - Ucraina 212
TR - Turchia 177
GB - Regno Unito 125
SG - Singapore 110
FI - Finlandia 82
VN - Vietnam 48
AT - Austria 36
BE - Belgio 33
IL - Israele 32
CH - Svizzera 25
JP - Giappone 19
FR - Francia 18
IN - India 15
NL - Olanda 15
RU - Federazione Russa 15
IR - Iran 14
CA - Canada 12
EU - Europa 11
AU - Australia 7
GR - Grecia 7
BR - Brasile 5
PK - Pakistan 5
PT - Portogallo 5
PL - Polonia 4
CZ - Repubblica Ceca 3
DK - Danimarca 3
ES - Italia 2
HK - Hong Kong 2
HR - Croazia 2
HU - Ungheria 2
LK - Sri Lanka 2
PH - Filippine 2
TW - Taiwan 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AE - Emirati Arabi Uniti 1
AR - Argentina 1
BG - Bulgaria 1
CL - Cile 1
KR - Corea 1
LT - Lituania 1
LU - Lussemburgo 1
MM - Myanmar 1
MT - Malta 1
MY - Malesia 1
NO - Norvegia 1
NP - Nepal 1
NZ - Nuova Zelanda 1
RO - Romania 1
SA - Arabia Saudita 1
TH - Thailandia 1
Totale 7.380
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Città #
Chandler 683
Dublin 660
Pisa 598
Jacksonville 503
Ashburn 279
Wilmington 197
Izmir 174
New York 153
Ann Arbor 146
Scuola 120
Millbury 119
Boston 118
Boardman 92
Mestre 90
Singapore 87
San Mateo 65
Milan 63
Düsseldorf 62
Seattle 60
San Paolo di Civitate 59
Washington 55
Lawrence 52
Ogden 51
Princeton 51
Dong Ket 48
Voghera 43
Vienna 36
Brussels 32
Bremen 31
Helsinki 30
Holon 30
Woodbridge 28
Beijing 27
Chicago 25
Guangzhou 21
Florence 20
Santa Clara 17
Shanghai 17
Redmond 16
Rome 16
Bern 15
Los Angeles 15
Dearborn 14
Berlin 13
Sacramento 13
Norwalk 12
Wuhan 12
London 11
Tokyo 11
Bientina 10
San Giuliano Terme 10
Jiaxing 9
Zurich 9
Andover 8
Edinburgh 8
Hefei 8
Toronto 8
Bologna 7
Houston 7
Wuxi 7
Cusano Milanino 6
Leawood 6
Nanjing 6
Nardò 6
Paris 6
Saint Petersburg 6
Udine 6
Auburn Hills 5
Council Bluffs 5
Fairfield 5
Frankfurt am Main 5
Hanover 5
Jinhua 5
Kyoto 5
Las Vegas 5
Padova 5
Pontedera 5
San Diego 5
Stockholm 5
Athens 4
Dronten 4
Falls Church 4
Grosseto 4
Jinan 4
San Giovanni Rotondo 4
São Paulo 4
Verona 4
Yiwu 4
Atlanta 3
Cambridge 3
Coimbra 3
Genova 3
Heze 3
Islamabad 3
Melbourne 3
Mumbai 3
Nanchang 3
Napoli 3
New Delhi 3
Salerno 3
Totale 5.355
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Nome #
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 170
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 156
Virtual reality tools for advanced modeling 144
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 134
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 132
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 126
E-HEME STRUCTURE IN CU,ZN SUPEROXIDE DISMUTASE FROM HAEMOPHILUS DUCREYI BY X-RAY ABSORPTION SPECTROSCOPY. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS 118
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 117
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 116
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach 116
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 115
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 114
Boundary condition effects on the dynamic and electric properties of hydration layers 113
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 110
XANES Reveals the Flexible Nature of Hydrated Strontium in Aqueous Solution 109
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 109
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 107
Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study 106
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 106
In Silico Study of Molecular-Engineered Nanodevices: A Lockable Light-Driven Motor in Dichloromethane Solution 106
An X-ray diffraction and X-ray absorption spectroscopy joint study of neuroglobin 105
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 105
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: a Test Case for Continuum and Explicit-Continuum approaches 105
An amber compatible molecular mechanics force field for the anticancer drug topotecan 103
X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts 102
Towards the SMART workflow system for computational spectroscopy 102
X-ray Absorption Studies on the N-terminal Copper-binding Region of Haemophilus ducreyi Cu, Zn Superoxide Dismutase 101
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 99
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water 98
A fast redox-induced switching mechanism in a conformationally controllable molecular thread in solution 98
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 98
Molecular Modelling Of BCRP (ABCG2) Multidrug Resistance Protein And Docking Of New Camptothecin Analogues 97
Structural and Dynamical Effects Induced by the Anticancer Drug Topotecan on the Human Topoisomerase I 97
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) 97
A Coupled Molecular Dynamics and XANES Data Analysis Investigation of Aqueous Cadmium(II) 96
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 94
Binding of an Indenoisoquinoline to the topoisomerase-DNA complex induces reduction of linker mobility and strengthening of protein-DNA interaction 94
Neutral molecular shuttle in acetonitrile dilute solution: new insights from molecular dynamics and density functional theory 94
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 93
Quantitative analysis of deconvolved X-ray absorption near-edge structure spectra: a tool to push the limits of the X-ray absorption spectroscopy technique 92
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study. 92
Organic solvent simulations under non-periodic boundary conditions: A library of effective potentials for the GLOB model 91
Introducing an artificial photo-switch into a biological pore: A model study of an engineered α-hemolysin 91
Graphical Interfaces and Virtual Reality for Molecular Sciences 91
Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments 90
Hydration properties of the Zn2+ ion in water at high pressure 89
Effects of the pathological Q212P mutation on human prion protein non-octarepeat copper-binding site 89
Integrated experimental and theoretical approach for the structural characterization of Hg2+aqueous solutions 88
Structural Investigation of Lanthanoid Coordination: a Combined XANES and Molecular Dynamics Study 88
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approach 87
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 86
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 86
Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control 85
F429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics Simulations 85
Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations 82
Force Field Parametrization of Metal Ions from Statistical Learning Techniques 81
Relative extended haplotype homozygosity signals across breeds reveal dairy and beef specific signatures of selection 79
Signatures of selection in five Italian cattle breeds detected by a 54K SNP panel 77
Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code 77
Ion hydration in high-density water 76
Association between single nucleotide polymorphisms (SNPs) and milk production traits in Italian Brown cattle 76
Identification of a short region on chromosome 6 affecting direct calving ease in Piedmontese cattle breed 75
Systematic Study on the Absorption Features of Interstellar Ices in the Presence of Impurities 75
Genome assembly and transcriptome resource for river buffalo, Bubalus bubalis (2n = 50) 73
On the coordination of Zn2+ion in Tf2N-based ionic liquids: Structural and dynamic properties depending on the nature of the organic cation 73
Evidence for sevenfold coordination in the first solvation shell of Hg(II) aqua ion 73
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 73
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties 72
Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models 72
New atomistic model of pyrrole with improved liquid state properties and structure 71
Mechanistic insights into metal ions transit through threefold ferritin channel 70
UV−Vis Spectra of the Anticancer Campothecin Family Drugs in Aqueous Solution: Specific Spectroscopic Signatures Unraveled by a Combined Computational and Experimental Study 67
The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion 67
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 64
Analysis of L-DOPA and droxidopa binding to human β2-adrenergic receptor 62
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV–Vis Spectrum of TEMPO Radical in Different Solvents 60
Molecular Perception for Visualization and Computation: The Proxima Library 56
Molecular dynamics simulations enforcing nonperiodic boundary conditions: new developments and application to the solvent shifts of nitroxide magnetic parameters 54
Development, validation, and pilot application of a generalized fluctuating charge model for computational spectroscopy in solution 53
Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry and artificial intelligence: the puzzling case of homocysteine 51
Elusive Coordination of the Ag+Ion in Aqueous Solution: Evidence for a Linear Structure 47
Integration of theory, simulation, artificial intelligence and virtual reality: A four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy 45
Deciphering Copper Coordination in the Mammalian Prion Protein Amyloidogenic Domain 38
Fast exploration of potential energy surfaces with a joint venture of quantum chemistry, evolutionary algorithms and unsupervised learning 33
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy 22
Totale 7.626
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Categoria #
all - tutte 36.620
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 36.620
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020377 0 0 0 13 73 14 98 21 70 13 75 0
2020/2021796 74 13 93 3 70 37 71 81 66 146 27 115
2021/2022710 27 2 3 29 42 14 21 60 29 42 45 396
2022/20233.130 191 272 153 262 189 289 12 691 920 18 62 71
2023/20241.012 109 31 110 14 64 342 36 15 89 39 15 148
2024/2025289 123 44 108 14 0 0 0 0 0 0 0 0
Totale 7.626