CHELLI, RICCARDO
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 9.011
EU - Europa 3.690
AS - Asia 746
OC - Oceania 65
AF - Africa 28
Continente sconosciuto - Info sul continente non disponibili 9
SA - Sud America 2
Totale 13.551
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 8.994
RU - Federazione Russa 1.163
PL - Polonia 836
SE - Svezia 470
IE - Irlanda 407
IT - Italia 321
SG - Singapore 248
HK - Hong Kong 201
CN - Cina 146
DE - Germania 123
FI - Finlandia 103
UA - Ucraina 93
AU - Australia 64
GB - Regno Unito 63
TR - Turchia 56
IN - India 46
CH - Svizzera 24
AT - Austria 21
BE - Belgio 18
CI - Costa d'Avorio 18
CA - Canada 15
VN - Vietnam 15
JO - Giordania 14
ES - Italia 12
ID - Indonesia 12
NL - Olanda 11
PT - Portogallo 10
EU - Europa 9
SC - Seychelles 8
FR - Francia 7
BR - Brasile 2
CZ - Repubblica Ceca 2
MX - Messico 2
CM - Camerun 1
EG - Egitto 1
GR - Grecia 1
HU - Ungheria 1
IL - Israele 1
IR - Iran 1
JP - Giappone 1
KR - Corea 1
LK - Sri Lanka 1
LT - Lituania 1
LV - Lettonia 1
NZ - Nuova Zelanda 1
RO - Romania 1
SA - Arabia Saudita 1
SK - Slovacchia (Repubblica Slovacca) 1
TJ - Tagikistan 1
TW - Taiwan 1
Totale 13.551
Salva come PNG Salva come JPEG
Città #
Santa Clara 1.880
Fairfield 1.436
Warsaw 836
Woodbridge 661
Seattle 620
Ashburn 594
Cambridge 533
Houston 528
Chandler 435
Wilmington 418
Dublin 407
Ann Arbor 226
Jacksonville 213
Singapore 196
Lawrence 133
Princeton 117
Hong Kong 116
Florence 104
Altamura 101
Boardman 78
Medford 77
Melbourne 64
Izmir 54
Beijing 49
Boston 45
San Diego 42
Mumbai 41
Shanghai 31
Moscow 26
Norwalk 24
Bern 23
Vienna 21
Abidjan 18
Andover 18
Brussels 18
Kent 17
New York 16
Falls Church 15
Bologna 14
Buffalo 13
Dong Ket 12
Hillsboro 12
Jakarta 12
Toronto 11
Barcelona 9
Helsinki 9
London 8
Munich 8
Yubileyny 8
Tappahannock 7
Guangzhou 6
Phoenix 6
Scuola 6
Redwood City 5
Berkeley 4
Cagliari 4
Frankfurt Am Main 4
Frankfurt am Main 4
Los Angeles 4
Milan 4
San Giuliano Terme 4
Auburn Hills 3
Dearborn 3
Huzhou 3
Lastra a Signa 3
Nizhneudinsk 3
Saint Petersburg 3
Shenzhen 3
Stockholm 3
Chengdu 2
Grevenbroich 2
Lappeenranta 2
Laurel 2
Madrid 2
Manaus 2
Menlo Park 2
Mexico City 2
Montréal 2
Nanning 2
Perugia 2
Pombal 2
Prescot 2
Pune 2
Romola 2
San Mateo 2
Trieste 2
Venice 2
Verona 2
West Jordan 2
Acton 1
Ardabil 1
Athens 1
Bratislava 1
Broomfield 1
Cadempino 1
Cairo 1
Castelfiorentino 1
Centro 1
Chiswick 1
Colombo 1
Totale 10.480
Salva come PNG Salva come JPEG
Nome #
Electrostatic interactions in phospholipid membranes revealed by coherent 2D IR spectroscopy 245
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories 243
About a world where second law of thermodynamics can be violated 236
Photochemical reactivity of 1,6-methano[10]annulene 228
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 225
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 197
Convective replica-exchange in ergodic regimes 190
Structural insights into the osteopontin-aptamer complex by molecular dynamics simulations 186
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations 184
A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations 171
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems 168
Two-dimensional infrared spectroscopy of a structured liquid: Neat formamide 166
Electrical response in chemical potential equalization schemes 164
Polyamine-polycarboxylate metal complexes with different biological effectiveness as nitric oxide scavengers. Clues for drug design 162
Hydration and hydrogen bonding of carbonyls in dimyristoyl-phosphatidylcholine bilayer 158
Conformational distribution of gas-phase glycerol 158
Exploiting configurational freezing in nonequilibrium Monte Carlo simulations 157
Annealed importance sampling with constant cooling rate 157
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations 157
Towards a polarizable force field for molecular liquids 156
Dynamics of liquid benzene: A cage analysis 156
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 156
A fluorescent receptor for halide recognition: clues for the design of anion chemosensors 154
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculations 153
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 153
Simulated structure, dynamics and vibrational spectra of liquid benzene 151
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 150
Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent” 149
Thermodynamics of stacking interactions in proteins 147
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation 145
Improving fast-switching free energy estimates by dynamical freezing 144
Comment on “From Subtle to Substantial: Role of Metal Ions on π−π Interactions” 143
Comment on "Classical polarizable force fields parametrized from ab initio calculations" [J. Chem. Phys. 117, 1416 (2002)] 142
Tuning the emission properties of fluorescent ligands by changing pH: the unusual case of an acridine-containing polyamine macrocycle 142
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 141
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations 139
Density functional calculation of structural and vibrational properties of glycerol 138
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat 138
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle 137
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding 137
Approximating nonequilibrium processes using a collection of surrogate diffusion models 137
Structure of liquid formic acid investigated by first principle and classical molecular dynamics simulations 136
Problems in molecular dynamics of condensed phases 135
Path-breaking schemes for nonequilibrium free energy calculations 135
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal 135
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal 134
Serial generalized ensemble simulations of biomolecules with self-consistent determination of weights 133
Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases 131
Energetic fitness of histidine protonation states in PDB structures 131
Computing Free Energy Differences of Configurational Basins 131
Glycerol condensed phases Part I. A molecular dynamics study 130
Optimal weights in serial generalized-ensemble simulations 130
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 130
Is the T-shaped toluene dimer a stable intermolecular complex? 130
Nonequilibrium work relations for systems subject to mechanical and thermal changes 129
Structural properties of a membrane associated anchor dipeptide 129
Computational Investigation of the Selective Cleavage of Diastereotopic Cyclopropane Bonds in 5-Spirocyclopropane Isoxazolidines Rearrangement 129
A photochromic azobenzene peptidomimetic of a β-turn model peptide structure as a conformational switch 128
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators 127
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 127
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 126
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: A strategy based on the equations of motion 126
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 125
Domain formation in lipid bilayers probed by two-dimensional infrared spectroscopy 124
Key role of the polarization anisotropy of water in modeling classical polarizable force fields 122
Molecular mechanics and dynamics calculations to bridge molecular structure information and spectroscopic measurements on complexes of aromatic compounds 121
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations 120
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 119
Nonequilibrium candidate Monte Carlo simulations with configurational freezing schemes 119
Stacking and T-shape competition in aromatic−aromatic amino acid interactions 118
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route 118
A potential of mean force estimator based on nonequilibrium work exponential averages 117
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy 115
Excitonic effects in the 2DIR spectra of liquid formamide 114
Retrieval of spectral and dynamic properties from two-dimensional infrared pump-probe experiments 112
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 110
Local sampling in steered Monte Carlo simulations decreases dissipation and enhances free energy estimates via nonequilibrium work theorems 110
Elastic barrier dynamical freezing in free energy calculations: A way to speed up nonequilibrium molecular dynamics simulations by orders of magnitude 110
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation 109
Simulations in generalized ensembles through noninstantaneous switches 109
Nonequilibrium work theorems applied to transitions between configurational domains 109
Modelling of the elementary steps involved in the aluminum electrochemical deposition from ionic liquid based solution: The BMIMCl/AlCl3 system 107
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level 101
Indigo chromophores and pigments: Structure and dynamics 100
The absorption spectrum of anisole and the anisole/CO2 1:1-cluster. The influence of intermolecular interaction on intramolecular vibrations 100
Excitonic effects in two-dimensional vibrational spectra of liquid formamide 97
II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands 92
Excited state photoelectron spectroscopy of anisole 91
Fluorescence emissions and torsional conformations in pi-conjugated chains of PolyDCHD-HS 90
Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulations 90
Insights into positron annihilation lifetime spectroscopy by molecular dynamics simulations. Free-volume calculations for liquid and glassy glycerol 90
Polarization entanglement of sum-frequency photons: A tool to probe the Markovian limit 90
Dynamics and structure of liquid and supercooled liquid m-toluidine investigated by molecular dynamics simulations 89
Esperimenti numerici: metodi e applicazioni 88
The nature of intermolecular interactions between aromatic amino acid residues 87
Resolving capacity of infrared–visible sum frequency generation microscopy to address discrete structural realizations of a protein at interface 87
Misfolding pathways of the prion protein probed by molecular dynamics simulations 86
Journal of Theoretical and Computational Science: Open Access, A Bridge to Link Knowledge from Chemistry, Physics, Biology and More 74
Inter-residue and solvent-residue interactions in proteins: A statistical study on experimental structures 72
Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor 71
Totale 13.405
Salva come PNG Salva come JPEG
Categoria #
all - tutte 35.149
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 35.149
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.804 0 0 0 0 0 342 349 378 341 170 171 53
2020/20211.494 138 202 162 110 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
2024/20253.799 122 460 300 676 1.484 757 0 0 0 0 0 0
Totale 13.764