PROCACCI, PIERO
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 13.036
EU - Europa 8.336
AS - Asia 5.253
SA - Sud America 805
Continente sconosciuto - Info sul continente non disponibili 302
AF - Africa 132
OC - Oceania 107
Totale 27.971
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 12.840
RU - Federazione Russa 2.156
PL - Polonia 1.974
IT - Italia 1.820
SG - Singapore 1.509
CN - Cina 1.136
HK - Hong Kong 891
VN - Vietnam 634
BR - Brasile 624
SE - Svezia 595
IE - Irlanda 551
KR - Corea 426
DE - Germania 236
FR - Francia 226
FI - Finlandia 183
IN - India 148
GB - Regno Unito 146
UA - Ucraina 141
CA - Canada 112
AU - Australia 107
BD - Bangladesh 83
TR - Turchia 82
AR - Argentina 79
ID - Indonesia 73
NL - Olanda 69
CH - Svizzera 61
JP - Giappone 57
AT - Austria 49
ES - Italia 47
MX - Messico 35
JO - Giordania 30
EC - Ecuador 28
IQ - Iraq 28
BE - Belgio 25
CL - Cile 24
CI - Costa d'Avorio 21
ZA - Sudafrica 18
NG - Nigeria 17
PK - Pakistan 17
MA - Marocco 15
CO - Colombia 14
AE - Emirati Arabi Uniti 13
SC - Seychelles 13
UZ - Uzbekistan 13
PY - Paraguay 12
TH - Thailandia 12
VE - Venezuela 12
IR - Iran 11
PT - Portogallo 11
PH - Filippine 10
AZ - Azerbaigian 9
DZ - Algeria 9
JM - Giamaica 9
KE - Kenya 9
NP - Nepal 9
SA - Arabia Saudita 9
MY - Malesia 8
BH - Bahrain 7
CR - Costa Rica 7
TN - Tunisia 7
TT - Trinidad e Tobago 7
AO - Angola 6
BJ - Benin 6
KZ - Kazakistan 6
DO - Repubblica Dominicana 5
EG - Egitto 5
KW - Kuwait 5
PE - Perù 5
RS - Serbia 5
BG - Bulgaria 4
EU - Europa 4
HN - Honduras 4
HR - Croazia 4
IL - Israele 4
LT - Lituania 4
MD - Moldavia 4
UY - Uruguay 4
XK - ???statistics.table.value.countryCode.XK??? 4
BY - Bielorussia 3
DK - Danimarca 3
LV - Lettonia 3
OM - Oman 3
PR - Porto Rico 3
PS - Palestinian Territory 3
QA - Qatar 3
RO - Romania 3
TJ - Tagikistan 3
AD - Andorra 2
BB - Barbados 2
BN - Brunei Darussalam 2
BO - Bolivia 2
CZ - Repubblica Ceca 2
GT - Guatemala 2
HU - Ungheria 2
KG - Kirghizistan 2
LB - Libano 2
SV - El Salvador 2
VG - Isole Vergini Britanniche 2
A1 - Anonimo 1
AL - Albania 1
Totale 27.654
Salva come PNG Salva come JPEG
Città #
Santa Clara 2.206
Warsaw 1.968
Fairfield 1.495
Ashburn 1.480
Singapore 1.084
Hong Kong 745
Woodbridge 703
Seattle 621
Cambridge 594
Houston 528
Dublin 523
Chandler 501
Wilmington 461
Seoul 420
San Jose 322
Florence 314
Milan 309
Ann Arbor 265
Jacksonville 246
Hefei 231
Beijing 219
Lawrence 205
Ho Chi Minh City 180
Altamura 178
Rome 167
Los Angeles 160
Princeton 160
Hanoi 155
The Dalles 150
Lauterbourg 143
Medford 116
Moscow 112
Buffalo 106
Boardman 99
Melbourne 91
Mumbai 80
Council Bluffs 76
Dallas 72
Izmir 71
Boston 67
São Paulo 67
San Diego 64
New York 54
Bern 52
Jakarta 51
Shanghai 50
Munich 48
Kent 46
Vienna 46
Bologna 44
Naples 44
Dong Ket 42
Tokyo 42
Helsinki 41
Paris 41
Da Nang 39
Menlo Park 32
Clifton 31
Orem 31
Chicago 30
Toronto 27
Brussels 25
Rio de Janeiro 24
Turin 23
Abidjan 21
Andover 21
Brooklyn 21
Falls Church 21
Guangzhou 21
Norwalk 21
Phoenix 21
London 20
Miano 20
Belo Horizonte 19
Frankfurt am Main 19
Palermo 19
Montreal 18
Tianjin 18
Haiphong 17
Redondo Beach 17
Hillsboro 16
Lappeenranta 16
Pisa 16
Amsterdam 15
Barcelona 15
Irvine 15
Abuja 14
Atlanta 14
Canberra 14
Figino 14
Genoa 13
Nanjing 13
Shenzhen 13
Turku 13
Curitiba 12
Mexico City 12
Quito 12
Stockholm 12
Tashkent 12
Xian 12
Totale 19.204
Salva come PNG Salva come JPEG
Nome #
Assessment of GAFF2 and OPLS-AA general force fields in combination with the water models TIP3P, SPCE and OPC3 for the solvation free energy of drug-like organic molecules 346
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level 316
Conformational structure of the MOG-derived peptide 101-108 in solution 296
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 293
Orac 5 User Manual, Release 5.3: A Molecular Dynamics Program to Simulate Complex Molecular System at the atomistic level 284
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 283
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories 283
Statistical thermodynamic basis in drug-receptor interactions: double annihilation and double decoupling alchemical theories, revisited 281
I. Dissociation free energies of drug-receptor systems: Via non-equilibrium alchemical simulations: A theoretical framework 278
Boosting conformational sampling in lipid bilayer simulations using hamiltonian replica exchange 271
Solvation free energies via alchemical simulations: let's get honest about sampling, once more 252
Blocking the FKBP12 induced dendrimeric burst in aberrant aggregation of α-synuclein by using the ElteN378 synthetic inhibitor 250
SAMPL6 host-guest blind predictions using a non equilibrium alchemical approach 247
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems 240
Efficient Nonequilibrium Method for Binding Free Energy Calculations in Molecular Dynamics Simulations 239
IBM DSD Report: Part B: Triplet Correlations in NCC water 235
Comment on “Efficient stress relaxation in molecular dynamics simulations of semiflexible n-alkanes” [Phys. Rev. E. 58, 6766 (1998)] 235
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 233
Conformational Landscape of N-Glycosylated Peptides Detecting Autoantibodies in Multiple Sclerosis, Revealed by Hamiltonian Replica Exchange 230
Identification of Potential inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand   Design, Molecular Docking and Nonequilibrium Alchemical Simulations 228
A compound for the determination of the protein FKBP12 and a sensor unit comprising it 225
IBM DSD Report: Structure and Dynamics of Water in the Crystal of Myoglobin 224
Lipid tempering simulation of model biological membranes on parallel platforms 223
Comment on ``Statistical efficiency of methods for computing free energy of hydration''[ J. Chem. Phys. 149, 144111 (2018)] 222
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 221
Anharmonic lattice dynamics and computer simulation for simple model systems 216
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle 215
Electrical response in chemical potential equalization schemes 212
2-Butanol Aqueous Solutions: A Combined Molecular Dynamics and Small/Wide-Angle X-ray Scattering Study 208
Fast switching alchemical simulations: a non equilibrium approach for drug discovery projects on parallel platforms 206
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 204
Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches 204
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations 201
Conformational distribution of gas-phase glycerol 200
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding 199
Towards a polarizable force field for molecular liquids 197
Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease 197
Characterization of MCL1 inhibition via Fast Switching Double annihilation technology on the CRESCO3 cluster 196
A vibrational potential function for molecular dynamics simulation of buckminsterfullerene 194
Simulated structure, dynamics and vibrational spectra of liquid benzene 193
Thermodynamics of stacking interactions in proteins 192
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations 192
Problems in molecular dynamics of condensed phases 191
Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair 191
Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain 191
Glycerol condensed phases Part I. A molecular dynamics study 190
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 190
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACS 190
Anharmonic calculation of bandwidths and frequency shifts in crystalline CO2 189
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 188
Comment on "Classical polarizable force fields parametrized from ab initio calculations" [J. Chem. Phys. 117, 1416 (2002)] 188
Energy dissipation asymmetry in the non equilibrium folding/unfolding of the single molecule alanine decapeptide 188
Comment on “From Subtle to Substantial: Role of Metal Ions on π−π Interactions” 188
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 187
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat 187
New Perspective on How and Why Immunophilin FK506-Related Ligands Work 187
Density functional calculation of structural and vibrational properties of glycerol 186
Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases 185
HPC-DRIVEN HIT-TO-LEAD PROCESS FOR SARS-COV-2 MAIN PROTEASE INHIBITION 185
Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent” 184
Upgrading and Validation of the AMBER Force Field for Histidine and Cysteine Zinc(II)-Binding Residues in Sites with Four Protein Ligands 184
Energy-Driven Undocking (EDU-HREM) in Solute Tempering Replica Exchange Simulations 182
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b′]- and -[1,2-b:5,6-b′]dithiophenes 182
Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling 181
A Very Fast Molecular Dynamics Method To Simulate Biomolecular Systems with Realistic Electrostatic Interactions 180
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations 179
A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin 179
Media effects in modulating the conformational equilibrium of a model compound for tumor necrosis factor converting enzyme inhibition 179
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations 178
A potential of mean force estimator based on nonequilibrium work exponential averages 178
Chiral/ring closed vs. achiral/open chain triazine-based organogelators: induction and amplification of supramolecular chirality in organic gels 178
Energetic fitness of histidine protonation states in PDB structures 177
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 175
PrimadORAC: a free web interface for the assignment of partial charges, chemical topology and bonded parameters in organic or drug molecules 175
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 175
Evidence of a Low-High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study 175
High Performance Computing on CRESCO infrastructure: research activities and results 2023 174
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 173
CRESCO ENEA HPC clusters: a working example of a multifabric GPFS Spectrum Scale layout 173
Vibrational frequencies of C70 172
Nonequilibrium Alchemical Simulations for the Development of Drugs Against Covid-19 172
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators 171
Key role of the polarization anisotropy of water in modeling classical polarizable force fields 170
The Precise Chemical−Physical Nature of the Pharmacore in FK506 Binding Protein Inhibition: ElteX, a New Class of Nanomolar FKBP12 Ligands 169
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: A strategy based on the equations of motion 168
Is the T-shaped toluene dimer a stable intermolecular complex? 166
Intraligand Hydrophobic Interactions Rationalize Drug Affinities for Peptidyl−Prolyl Cis−Trans Isomerase Protein 164
Multiple time scale methods for constant pressure molecular dynamics simulations of molecular systems 164
Alchemical determination of drug-receptor binding free energy: where we stand and where we could move to 164
Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness 164
Blind Predictions for the SAMPL9 Host-Guest Challenge 162
Upgraded AMBER Force Field for Zinc-Binding Residues and Ligands for Predicting Structural Properties and Binding Affinities in Zinc-Proteins 161
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 160
Fragment 101−108 of Myelin Oligodendrocyte Glycoprotein: A Possible Lead Compound for Multiple Sclerosis 160
II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands 160
Polar phonons in SO2 single crystal 159
Chemical–physical analysis of a tartrate model compound for TACE inhibition 159
On the NS-DSSB unidirectional estimates in the SAMPL6 SAMPLing challenge 158
Stacking and T-shape competition in aromatic−aromatic amino acid interactions 157
Accuracy, precision, and efficiency of nonequilibrium alchemical methods for computing free energies of solvation. I. Bidirectional approaches 157
Totale 20.060
Salva come PNG Salva come JPEG
Categoria #
all - tutte 75.389
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 75.389
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.129 65 113 112 86 34 51 57 80 49 67 160 255
2022/20232.520 262 503 82 180 200 473 293 135 210 14 85 83
2023/2024900 40 107 155 40 32 81 55 236 20 58 43 33
2024/20256.408 212 667 390 886 1.795 903 125 440 327 213 235 215
2025/20268.175 696 1.060 712 661 805 347 1.031 470 570 540 197 1.086
2026/2027425 425 0 0 0 0 0 0 0 0 0 0 0
Totale 27.971