CINECA IRIS Institutional Research Information System

CUPELLINI, LORENZO
 Distribuzione geografica
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Continente #
NA - Nord America 2.819
EU - Europa 1.320
AS - Asia 503
AF - Africa 55
SA - Sud America 5
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 1
Totale 4.706
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Nazione #
US - Stati Uniti d'America 2.785
IT - Italia 677
SE - Svezia 270
CN - Cina 205
SG - Singapore 149
BG - Bulgaria 119
VN - Vietnam 69
BE - Belgio 56
SN - Senegal 47
DE - Germania 46
IN - India 44
GB - Regno Unito 38
FR - Francia 36
CA - Canada 32
FI - Finlandia 26
TR - Turchia 16
HK - Hong Kong 12
UA - Ucraina 10
NL - Olanda 8
AT - Austria 6
CI - Costa d'Avorio 5
LU - Lussemburgo 5
BR - Brasile 4
IE - Irlanda 4
JP - Giappone 4
RU - Federazione Russa 4
CH - Svizzera 3
PL - Polonia 3
AU - Australia 2
CZ - Repubblica Ceca 2
DK - Danimarca 2
ES - Italia 2
IR - Iran 2
MX - Messico 2
NG - Nigeria 2
RO - Romania 2
CO - Colombia 1
EU - Europa 1
KE - Kenya 1
KR - Corea 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
TW - Taiwan 1
Totale 4.706
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Città #
Fairfield 374
Woodbridge 292
Ashburn 247
Chandler 212
Seattle 210
Milan 188
Houston 157
Wilmington 142
Cambridge 129
Sofia 119
New York 107
Ann Arbor 101
Princeton 98
Serra 95
Singapore 93
Santa Clara 88
Boardman 83
Beijing 60
Pisa 58
Lawrence 54
Kraainem 49
Medford 48
Dakar 47
Florence 37
Vicopisano 34
Dong Ket 31
San Diego 29
Ottawa 26
Des Moines 22
Ogden 21
Shanghai 21
Rome 20
Pune 19
Marseille 17
Nanjing 17
Falls Church 16
Istanbul 15
Boulder 14
Lappeenranta 14
Livorno 13
Fuzhou 11
Hong Kong 11
Frankfurt am Main 10
Norwalk 10
Hyderabad 9
Quanzhou 9
Redwood City 9
Bologna 8
Cascina 8
Gaeta 8
Genoa 8
Colle Di Val D'elsa 7
London 7
Dearborn 6
Scuola 6
Abidjan 5
Amsterdam 5
Brussels 5
Calci 5
Helsinki 5
Indianapolis 5
Leawood 5
Shenyang 5
Zhengzhou 5
Augusta 4
Follonica 4
Guangzhou 4
Hebei 4
Hesperange 4
Jacksonville 4
Pietrasanta 4
Vienna 4
Bremen 3
Dublin 3
Indiana 3
Karlsruhe 3
Kilburn 3
Massa Lombarda 3
Mumbai 3
San Mateo 3
Shenzhen 3
Warsaw 3
Washington 3
Wuhan 3
Xiamen 3
Auburn Hills 2
Braine-le-Comte 2
Bulciago 2
Capannori 2
Changsha 2
Dallas 2
Fukuoka 2
Hortolândia 2
Jinan 2
Kunming 2
Lagos 2
Los Angeles 2
Lucca 2
Messina 2
Mexico 2
Totale 3.690
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Nome #
Efficient photoinduced charge separation in a BODIPY-C60 dyad 154
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling 151
Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles 146
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects? 143
The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein 138
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation 130
An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence 129
EXAT: EXcitonic analysis tool 129
Single-chain self-folding in an amphiphilic copolymer: An integrated experimental and computational study 129
Is energy transfer limiting multiphotochromism? Answers from ab initio quantifications 107
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes 103
A synthetic oxygen sensor for plants based on animal hypoxia signalling 103
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems 102
Atomic Detail of Protein Folding Revealed by an Ab Initio Reappraisal of Circular Dichroism 96
Steric hindrances and spectral distributions affecting energy transfer rate: A comparative study on specifically designed donor-acceptor pairs 93
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria 92
Modeling the absorption lineshape of embedded systems from molecular dynamics: A tutorial review 92
Modeling excitation energy transfer in multi-BODIPY architectures 91
Coherence in carotenoid-to-chlorophyll energy transfer 91
Photoprotection and triplet energy transfer in higher plants: The role of electronic and nuclear fluctuations 87
The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria 87
Electronic energy transfer in biomacromolecules 87
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? 87
A polarizable QM/MM description of environment effects on NMR shieldings: from solvated molecules to pigment–protein complexes 86
A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein 84
Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistry 79
Spectral variability in phycocyanin cryptophyte antenna complexes is controlled by changes in the α polypeptide chains 78
A synthetic oxygen sensor for plants based on animal hypoxia signaling 77
Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization 75
Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle 74
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome 74
Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories 74
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants 73
The energy transfer model of nonphotochemical quenching: Lessons from the minor CP29 antenna complex of plants 72
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion 72
The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach 68
Multiscale Models for Light-Driven Processes 66
Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes 65
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models 61
Understanding the influence of disorder on the exciton dynamics and energy transfer in Zn-phthalocyanine H-aggregates 60
Exciton properties and optical spectra of light harvesting complex II from a fully atomistic description 60
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems 57
The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation 55
The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol 54
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain 51
Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence 50
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics 47
A different perspective for nonphotochemical quenching in plant antenna complexes 44
Molecular Mechanisms of Activation in the Orange Carotenoid Protein Revealed by Molecular Dynamics 41
Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy 38
A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity 35
Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra 33
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor 32
A ΔSCF model for excited states within a polarisable embedding 31
Protein control of photochemistry and transient intermediates in phytochromes 31
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response 30
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses 29
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes 26
Uncovering the interactions driving carotenoid binding in light-harvesting complexes 26
QM/AMOEBA description of properties and dynamics of embedded molecules 25
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization 25
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State 24
null 23
How orange carotenoid protein controls the excited state dynamics of canthaxanthin 20
First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex 18
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants 17
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning 15
Unravelling the ultrafast dynamics of a N-BODIPY compound 15
null 15
A fast method for electronic couplings in embedded multichromophoric systems 14
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics 13
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs 13
Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints 11
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures 11
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII 11
Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex 11
Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I 10
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations 9
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations 9
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes 8
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol 6
Electronic Excited States from Physically Constrained Machine Learning 6
Enabling Stereochemical Communication and Stimuli-Responsive Chiroptical Properties in Biphenyl-Capped Cyclodextrins 6
Theoretical description of photoinduced electron transfer in donor-acceptor supramolecular complexes based on carbon buckybowls 5
Energetic Landscape and Terminal Emitters of Phycobilisome Cores from Quantum Chemical Modeling 4
Electrostatic embedding machine learning for ground and excited state molecular dynamics of solvated molecules 2
Totale 4.921
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Categoria #
all - tutte 19.005
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 19.005
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020687 0 0 0 0 84 104 102 118 106 63 93 17
2020/2021712 40 34 28 48 35 31 13 29 148 111 110 85
2021/2022680 8 23 11 41 130 87 28 21 44 14 51 222
2022/2023750 96 87 75 28 67 97 6 69 166 3 36 20
2023/2024993 57 72 78 79 159 177 27 94 20 55 80 95
2024/2025357 11 92 22 103 129 0 0 0 0 0 0 0
Totale 4.921