CHELLI, RICCARDO
 Distribuzione geografica
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Continente #
NA - Nord America 9.609
EU - Europa 4.245
AS - Asia 2.051
SA - Sud America 323
OC - Oceania 66
AF - Africa 42
Continente sconosciuto - Info sul continente non disponibili 9
Totale 16.345
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Nazione #
US - Stati Uniti d'America 9.559
RU - Federazione Russa 1.578
PL - Polonia 839
SG - Singapore 585
HK - Hong Kong 472
SE - Svezia 472
CN - Cina 439
IE - Irlanda 408
IT - Italia 345
BR - Brasile 269
KR - Corea 238
DE - Germania 161
FI - Finlandia 120
UA - Ucraina 96
VN - Vietnam 90
GB - Regno Unito 73
AU - Australia 65
TR - Turchia 61
IN - India 56
CA - Canada 31
AR - Argentina 27
FR - Francia 26
CH - Svizzera 24
ID - Indonesia 23
AT - Austria 21
CI - Costa d'Avorio 19
NL - Olanda 19
BE - Belgio 18
ES - Italia 17
JO - Giordania 14
IQ - Iraq 12
JP - Giappone 11
BD - Bangladesh 10
PT - Portogallo 10
EU - Europa 9
MX - Messico 9
CO - Colombia 8
SC - Seychelles 8
VE - Venezuela 8
PK - Pakistan 6
UZ - Uzbekistan 6
SA - Arabia Saudita 5
ZA - Sudafrica 5
IR - Iran 4
LT - Lituania 4
MA - Marocco 4
EC - Ecuador 3
PE - Perù 3
AE - Emirati Arabi Uniti 2
BH - Bahrain 2
BO - Bolivia 2
CL - Cile 2
CZ - Repubblica Ceca 2
EG - Egitto 2
GR - Grecia 2
KG - Kirghizistan 2
RO - Romania 2
TT - Trinidad e Tobago 2
TW - Taiwan 2
AF - Afghanistan, Repubblica islamica di 1
AZ - Azerbaigian 1
BY - Bielorussia 1
CM - Camerun 1
CR - Costa Rica 1
CU - Cuba 1
DO - Repubblica Dominicana 1
EE - Estonia 1
ET - Etiopia 1
GA - Gabon 1
GT - Guatemala 1
HN - Honduras 1
HU - Ungheria 1
IL - Israele 1
IS - Islanda 1
JM - Giamaica 1
KE - Kenya 1
KW - Kuwait 1
KZ - Kazakistan 1
LK - Sri Lanka 1
LV - Lettonia 1
MD - Moldavia 1
MY - Malesia 1
NP - Nepal 1
NZ - Nuova Zelanda 1
PA - Panama 1
PH - Filippine 1
PS - Palestinian Territory 1
SI - Slovenia 1
SK - Slovacchia (Repubblica Slovacca) 1
TJ - Tagikistan 1
UY - Uruguay 1
VC - Saint Vincent e Grenadine 1
Totale 16.345
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Città #
Santa Clara 1.890
Fairfield 1.436
Warsaw 839
Ashburn 783
Woodbridge 661
Seattle 621
Cambridge 533
Houston 533
Chandler 435
Wilmington 418
Dublin 408
Singapore 399
Hong Kong 387
Seoul 237
Ann Arbor 226
Jacksonville 213
Beijing 148
Lawrence 133
Princeton 117
Florence 109
Altamura 101
Hefei 84
Boardman 80
Medford 77
Los Angeles 68
Buffalo 64
Melbourne 64
Moscow 63
Izmir 54
Boston 49
San Diego 43
Dallas 41
Mumbai 41
São Paulo 38
Munich 36
Shanghai 31
Kent 28
New York 25
Norwalk 24
Bern 23
Clifton 22
Hanoi 22
Ho Chi Minh City 22
Vienna 21
Abidjan 19
Andover 18
Brussels 18
Falls Church 15
London 15
Bologna 14
Toronto 14
Dong Ket 12
Helsinki 12
Hillsboro 12
Jakarta 12
Turku 12
Chicago 11
Paris 11
Tokyo 11
Phoenix 10
Redondo Beach 10
Rio de Janeiro 10
Barcelona 9
Frankfurt am Main 8
Yubileyny 8
Montreal 7
Tappahannock 7
Brooklyn 6
Buenos Aires 6
Guangzhou 6
San Francisco 6
Scuola 6
Tashkent 6
Brasília 5
Milan 5
Redwood City 5
Ankara 4
Belo Horizonte 4
Berkeley 4
Cagliari 4
Curitiba 4
Da Nang 4
Elk Grove Village 4
Frankfurt Am Main 4
Guarulhos 4
Manaus 4
Orem 4
Prato 4
San Giuliano Terme 4
Stockholm 4
Amsterdam 3
Auburn Hills 3
Campinas 3
Chennai 3
Contagem 3
Dearborn 3
Dhaka 3
Fortaleza 3
Huzhou 3
Lappeenranta 3
Totale 12.059
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Nome #
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories 262
Electrostatic interactions in phospholipid membranes revealed by coherent 2D IR spectroscopy 260
About a world where second law of thermodynamics can be violated 260
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 248
Photochemical reactivity of 1,6-methano[10]annulene 247
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 243
Convective replica-exchange in ergodic regimes 213
A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations 211
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems 211
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations 207
Structural insights into the osteopontin-aptamer complex by molecular dynamics simulations 207
A fluorescent receptor for halide recognition: clues for the design of anion chemosensors 202
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculations 195
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 193
Polyamine-polycarboxylate metal complexes with different biological effectiveness as nitric oxide scavengers. Clues for drug design 192
Electrical response in chemical potential equalization schemes 191
Annealed importance sampling with constant cooling rate 190
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 186
Two-dimensional infrared spectroscopy of a structured liquid: Neat formamide 185
A photochromic azobenzene peptidomimetic of a β-turn model peptide structure as a conformational switch 181
Hydration and hydrogen bonding of carbonyls in dimyristoyl-phosphatidylcholine bilayer 180
Conformational distribution of gas-phase glycerol 179
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations 179
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal 178
Glycerol condensed phases Part I. A molecular dynamics study 176
Exploiting configurational freezing in nonequilibrium Monte Carlo simulations 176
Dynamics of liquid benzene: A cage analysis 175
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle 173
Towards a polarizable force field for molecular liquids 172
Problems in molecular dynamics of condensed phases 171
Thermodynamics of stacking interactions in proteins 171
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal 171
Approximating nonequilibrium processes using a collection of surrogate diffusion models 171
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 170
Computing Free Energy Differences of Configurational Basins 170
Simulated structure, dynamics and vibrational spectra of liquid benzene 169
Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent” 169
Comment on “From Subtle to Substantial: Role of Metal Ions on π−π Interactions” 169
Improving fast-switching free energy estimates by dynamical freezing 168
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 167
Comment on "Classical polarizable force fields parametrized from ab initio calculations" [J. Chem. Phys. 117, 1416 (2002)] 165
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding 165
Tuning the emission properties of fluorescent ligands by changing pH: the unusual case of an acridine-containing polyamine macrocycle 165
Computational Investigation of the Selective Cleavage of Diastereotopic Cyclopropane Bonds in 5-Spirocyclopropane Isoxazolidines Rearrangement 164
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations 161
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 161
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation 161
Density functional calculation of structural and vibrational properties of glycerol 158
Path-breaking schemes for nonequilibrium free energy calculations 158
Structural properties of a membrane associated anchor dipeptide 156
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 156
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat 155
Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases 153
Serial generalized ensemble simulations of biomolecules with self-consistent determination of weights 153
Structure of liquid formic acid investigated by first principle and classical molecular dynamics simulations 151
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators 151
Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor 148
Molecular mechanics and dynamics calculations to bridge molecular structure information and spectroscopic measurements on complexes of aromatic compounds 148
Energetic fitness of histidine protonation states in PDB structures 148
A potential of mean force estimator based on nonequilibrium work exponential averages 147
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: A strategy based on the equations of motion 147
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations 146
Nonequilibrium work relations for systems subject to mechanical and thermal changes 145
Is the T-shaped toluene dimer a stable intermolecular complex? 145
Key role of the polarization anisotropy of water in modeling classical polarizable force fields 144
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 144
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route 143
Determination of the potential of mean force of aromatic amino acid complexes in various solvents using molecular dynamics simulations: The case of the tryptophan-histidine pair 143
Optimal weights in serial generalized-ensemble simulations 142
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy 141
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 140
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 140
Domain formation in lipid bilayers probed by two-dimensional infrared spectroscopy 138
Stacking and T-shape competition in aromatic−aromatic amino acid interactions 137
Nonequilibrium candidate Monte Carlo simulations with configurational freezing schemes 137
Excitonic effects in the 2DIR spectra of liquid formamide 136
Simulations in generalized ensembles through noninstantaneous switches 135
II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands 135
Local sampling in steered Monte Carlo simulations decreases dissipation and enhances free energy estimates via nonequilibrium work theorems 132
Elastic barrier dynamical freezing in free energy calculations: A way to speed up nonequilibrium molecular dynamics simulations by orders of magnitude 132
Nonequilibrium work theorems applied to transitions between configurational domains 130
Retrieval of spectral and dynamic properties from two-dimensional infrared pump-probe experiments 129
Modelling of the elementary steps involved in the aluminum electrochemical deposition from ionic liquid based solution: The BMIMCl/AlCl3 system 125
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation 123
Dynamics and structure of liquid and supercooled liquid m-toluidine investigated by molecular dynamics simulations 123
Excitonic effects in two-dimensional vibrational spectra of liquid formamide 120
Indigo chromophores and pigments: Structure and dynamics 119
Polarization entanglement of sum-frequency photons: A tool to probe the Markovian limit 116
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level 115
Excited state photoelectron spectroscopy of anisole 114
The absorption spectrum of anisole and the anisole/CO2 1:1-cluster. The influence of intermolecular interaction on intramolecular vibrations 112
Insights into positron annihilation lifetime spectroscopy by molecular dynamics simulations. Free-volume calculations for liquid and glassy glycerol 109
Esperimenti numerici: metodi e applicazioni 108
Misfolding pathways of the prion protein probed by molecular dynamics simulations 107
Fluorescence emissions and torsional conformations in pi-conjugated chains of PolyDCHD-HS 106
Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulations 105
Anisole-CO2 a planar van der Waals complex: Comparison of different spectroscopic and theoretical results 105
The nature of intermolecular interactions between aromatic amino acid residues 103
Resolving capacity of infrared–visible sum frequency generation microscopy to address discrete structural realizations of a protein at interface 101
Journal of Theoretical and Computational Science: Open Access, A Bridge to Link Knowledge from Chemistry, Physics, Biology and More 97
Totale 15.931
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Categoria #
all - tutte 44.690
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 44.690
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021882 0 0 0 0 45 137 61 124 118 180 84 133
2021/2022777 77 97 81 26 16 36 48 42 18 45 126 165
2022/20231.870 203 331 62 151 176 324 262 88 151 21 58 43
2023/2024545 33 80 110 28 39 33 35 131 5 13 27 11
2024/20254.568 122 460 300 676 1.484 776 45 272 147 86 117 83
2025/20262.034 463 612 316 262 381 0 0 0 0 0 0 0
Totale 16.567