PROCACCI, PIERO
 Distribuzione geografica
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Continente #
NA - Nord America 11.595
EU - Europa 7.100
AS - Asia 4.092
SA - Sud America 733
OC - Oceania 92
AF - Africa 81
Continente sconosciuto - Info sul continente non disponibili 7
Totale 23.700
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Nazione #
US - Stati Uniti d'America 11.507
RU - Federazione Russa 2.153
PL - Polonia 1.973
SG - Singapore 1.213
CN - Cina 868
HK - Hong Kong 857
IT - Italia 844
BR - Brasile 590
SE - Svezia 585
IE - Irlanda 550
KR - Corea 423
VN - Vietnam 264
DE - Germania 214
FI - Finlandia 165
GB - Regno Unito 134
UA - Ucraina 130
IN - India 123
AU - Australia 92
TR - Turchia 76
FR - Francia 72
ID - Indonesia 67
AR - Argentina 66
NL - Olanda 63
CH - Svizzera 60
AT - Austria 48
CA - Canada 44
ES - Italia 39
JP - Giappone 33
JO - Giordania 28
BE - Belgio 24
MX - Messico 24
BD - Bangladesh 23
CI - Costa d'Avorio 21
EC - Ecuador 20
IQ - Iraq 20
CL - Cile 18
ZA - Sudafrica 15
SC - Seychelles 13
IR - Iran 11
PT - Portogallo 11
UZ - Uzbekistan 11
VE - Venezuela 11
CO - Colombia 10
PY - Paraguay 10
AE - Emirati Arabi Uniti 9
MA - Marocco 9
PK - Pakistan 8
SA - Arabia Saudita 8
AZ - Azerbaigian 7
NP - Nepal 7
PH - Filippine 6
BJ - Benin 5
BH - Bahrain 4
DO - Repubblica Dominicana 4
DZ - Algeria 4
EU - Europa 4
KE - Kenya 4
LT - Lituania 4
MD - Moldavia 4
PE - Perù 4
TT - Trinidad e Tobago 4
BY - Bielorussia 3
EG - Egitto 3
HR - Croazia 3
KW - Kuwait 3
KZ - Kazakistan 3
RS - Serbia 3
TJ - Tagikistan 3
UY - Uruguay 3
AD - Andorra 2
BG - Bulgaria 2
BN - Brunei Darussalam 2
DK - Danimarca 2
GT - Guatemala 2
HN - Honduras 2
IL - Israele 2
KG - Kirghizistan 2
LB - Libano 2
LV - Lettonia 2
PS - Palestinian Territory 2
QA - Qatar 2
TN - Tunisia 2
VG - Isole Vergini Britanniche 2
XK - ???statistics.table.value.countryCode.XK??? 2
A1 - Anonimo 1
AL - Albania 1
AO - Angola 1
BO - Bolivia 1
CG - Congo 1
CR - Costa Rica 1
CU - Cuba 1
CZ - Repubblica Ceca 1
DM - Dominica 1
EE - Estonia 1
ET - Etiopia 1
GE - Georgia 1
GH - Ghana 1
GR - Grecia 1
HU - Ungheria 1
JM - Giamaica 1
Totale 23.688
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Città #
Santa Clara 2.185
Warsaw 1.967
Fairfield 1.495
Ashburn 1.011
Singapore 825
Hong Kong 720
Woodbridge 702
Seattle 620
Cambridge 594
Houston 524
Dublin 522
Chandler 501
Wilmington 460
Seoul 420
Ann Arbor 265
Florence 250
Jacksonville 244
Hefei 231
Lawrence 205
Beijing 202
San Jose 193
Altamura 178
Princeton 160
Los Angeles 135
Medford 116
Moscow 111
Buffalo 101
Boardman 96
Melbourne 91
Mumbai 77
Ho Chi Minh City 72
Izmir 71
Boston 67
San Diego 64
The Dalles 64
São Paulo 61
Dallas 54
Bern 52
Hanoi 52
Jakarta 48
Munich 48
Kent 46
Vienna 46
Shanghai 43
Dong Ket 42
Paris 37
Rome 37
Milan 36
Menlo Park 32
New York 32
Clifton 30
Council Bluffs 28
Helsinki 26
Brussels 24
Rio de Janeiro 24
Abidjan 21
Andover 21
Chicago 21
Norwalk 21
Falls Church 20
London 19
Toronto 19
Belo Horizonte 18
Tokyo 18
Brooklyn 17
Redondo Beach 17
Da Nang 16
Hillsboro 16
Barcelona 15
Lappeenranta 15
Naples 15
Phoenix 15
Amsterdam 14
Bologna 14
Turku 13
Nanjing 12
Orem 12
Tianjin 12
Xian 12
Curitiba 11
Montreal 11
Pisa 11
Bengaluru 10
Poplar 10
Rufina 10
Sabadell 10
Tashkent 10
Atlanta 9
Brasília 9
Johannesburg 9
Quito 9
Campi Bisenzio 8
Frankfurt am Main 8
Perugia 8
Prato 8
Rotterdam 8
Salt Lake City 8
West Jordan 8
Yubileyny 8
Baghdad 7
Totale 16.920
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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 291
Conformational structure of the MOG-derived peptide 101-108 in solution 277
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories 265
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 261
I. Dissociation free energies of drug-receptor systems: Via non-equilibrium alchemical simulations: A theoretical framework 260
Statistical thermodynamic basis in drug-receptor interactions: double annihilation and double decoupling alchemical theories, revisited 256
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 255
Orac 5 User Manual, Release 5.3: A Molecular Dynamics Program to Simulate Complex Molecular System at the atomistic level 242
Boosting conformational sampling in lipid bilayer simulations using hamiltonian replica exchange 239
Blocking the FKBP12 induced dendrimeric burst in aberrant aggregation of α-synuclein by using the ElteN378 synthetic inhibitor 227
Efficient Nonequilibrium Method for Binding Free Energy Calculations in Molecular Dynamics Simulations 224
Comment on “Efficient stress relaxation in molecular dynamics simulations of semiflexible n-alkanes” [Phys. Rev. E. 58, 6766 (1998)] 222
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems 218
IBM DSD Report: Part B: Triplet Correlations in NCC water 214
Solvation free energies via alchemical simulations: let's get honest about sampling, once more 213
SAMPL6 host-guest blind predictions using a non equilibrium alchemical approach 211
Conformational Landscape of N-Glycosylated Peptides Detecting Autoantibodies in Multiple Sclerosis, Revealed by Hamiltonian Replica Exchange 210
Comment on ``Statistical efficiency of methods for computing free energy of hydration''[ J. Chem. Phys. 149, 144111 (2018)] 204
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 199
Lipid tempering simulation of model biological membranes on parallel platforms 199
Electrical response in chemical potential equalization schemes 197
IBM DSD Report: Structure and Dynamics of Water in the Crystal of Myoglobin 196
Anharmonic lattice dynamics and computer simulation for simple model systems 194
A compound for the determination of the protein FKBP12 and a sensor unit comprising it 193
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 193
Identification of Potential inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand   Design, Molecular Docking and Nonequilibrium Alchemical Simulations 189
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle 187
Characterization of MCL1 inhibition via Fast Switching Double annihilation technology on the CRESCO3 cluster 187
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations 186
Conformational distribution of gas-phase glycerol 184
Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches 182
Fast switching alchemical simulations: a non equilibrium approach for drug discovery projects on parallel platforms 181
Glycerol condensed phases Part I. A molecular dynamics study 179
2-Butanol Aqueous Solutions: A Combined Molecular Dynamics and Small/Wide-Angle X-ray Scattering Study 178
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding 178
Thermodynamics of stacking interactions in proteins 176
Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain 176
Towards a polarizable force field for molecular liquids 174
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 174
Problems in molecular dynamics of condensed phases 173
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 173
Simulated structure, dynamics and vibrational spectra of liquid benzene 173
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 172
Comment on “From Subtle to Substantial: Role of Metal Ions on π−π Interactions” 172
Energy dissipation asymmetry in the non equilibrium folding/unfolding of the single molecule alanine decapeptide 171
Anharmonic calculation of bandwidths and frequency shifts in crystalline CO2 170
Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent” 169
New Perspective on How and Why Immunophilin FK506-Related Ligands Work 169
Density functional calculation of structural and vibrational properties of glycerol 168
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations 168
Comment on "Classical polarizable force fields parametrized from ab initio calculations" [J. Chem. Phys. 117, 1416 (2002)] 166
Energy-Driven Undocking (EDU-HREM) in Solute Tempering Replica Exchange Simulations 166
HPC-DRIVEN HIT-TO-LEAD PROCESS FOR SARS-COV-2 MAIN PROTEASE INHIBITION 165
A vibrational potential function for molecular dynamics simulation of buckminsterfullerene 163
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat 162
Media effects in modulating the conformational equilibrium of a model compound for tumor necrosis factor converting enzyme inhibition 162
Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease 162
A Very Fast Molecular Dynamics Method To Simulate Biomolecular Systems with Realistic Electrostatic Interactions 161
Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling 161
Upgrading and Validation of the AMBER Force Field for Histidine and Cysteine Zinc(II)-Binding Residues in Sites with Four Protein Ligands 160
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACS 160
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 159
Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases 158
Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair 158
A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin 158
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators 156
A potential of mean force estimator based on nonequilibrium work exponential averages 156
The Precise Chemical−Physical Nature of the Pharmacore in FK506 Binding Protein Inhibition: ElteX, a New Class of Nanomolar FKBP12 Ligands 156
Energetic fitness of histidine protonation states in PDB structures 154
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations 154
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b′]- and -[1,2-b:5,6-b′]dithiophenes 154
Key role of the polarization anisotropy of water in modeling classical polarizable force fields 152
Chiral/ring closed vs. achiral/open chain triazine-based organogelators: induction and amplification of supramolecular chirality in organic gels 152
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: A strategy based on the equations of motion 152
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 151
PrimadORAC: a free web interface for the assignment of partial charges, chemical topology and bonded parameters in organic or drug molecules 150
Is the T-shaped toluene dimer a stable intermolecular complex? 150
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 150
Nonequilibrium Alchemical Simulations for the Development of Drugs Against Covid-19 149
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations 148
Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness 148
Vibrational frequencies of C70 147
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 147
Multiple time scale methods for constant pressure molecular dynamics simulations of molecular systems 145
Blind Predictions for the SAMPL9 Host-Guest Challenge 144
Alchemical determination of drug-receptor binding free energy: where we stand and where we could move to 143
Upgraded AMBER Force Field for Zinc-Binding Residues and Ligands for Predicting Structural Properties and Binding Affinities in Zinc-Proteins 143
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 142
Stacking and T-shape competition in aromatic−aromatic amino acid interactions 141
Intraligand Hydrophobic Interactions Rationalize Drug Affinities for Peptidyl−Prolyl Cis−Trans Isomerase Protein 141
Evidence of a Low-High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study 141
Polar phonons in SO2 single crystal 140
Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixtures 138
Chemical–physical analysis of a tartrate model compound for TACE inhibition 138
II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands 137
Accuracy, precision, and efficiency of nonequilibrium alchemical methods for computing free energies of solvation. I. Bidirectional approaches 136
Fragment 101−108 of Myelin Oligodendrocyte Glycoprotein: A Possible Lead Compound for Multiple Sclerosis 136
CRESCO ENEA HPC clusters: a working example of a multifabric GPFS Spectrum Scale layout 136
Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges 136
ORAC: A Molecular Dynamics Program to Simulate Complex Molecular Systems with Realistic Electrostatic Interactions 134
Totale 17.587
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Categoria #
all - tutte 64.841
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 64.841
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.093 0 0 0 0 0 0 133 153 181 281 128 217
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
2025/20264.607 696 1.060 712 661 805 347 326 0 0 0 0 0
Totale 23.978