PROCACCI, PIERO
 Distribuzione geografica
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Continente #
NA - Nord America 11.278
EU - Europa 7.076
AS - Asia 3.930
SA - Sud America 720
OC - Oceania 92
AF - Africa 76
Continente sconosciuto - Info sul continente non disponibili 7
Totale 23.179
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Nazione #
US - Stati Uniti d'America 11.194
RU - Federazione Russa 2.152
PL - Polonia 1.971
SG - Singapore 1.103
HK - Hong Kong 855
CN - Cina 841
IT - Italia 840
SE - Svezia 585
BR - Brasile 583
IE - Irlanda 550
KR - Corea 423
VN - Vietnam 263
DE - Germania 211
FI - Finlandia 157
GB - Regno Unito 134
UA - Ucraina 130
IN - India 117
AU - Australia 92
TR - Turchia 76
FR - Francia 72
ID - Indonesia 67
AR - Argentina 64
NL - Olanda 61
CH - Svizzera 60
AT - Austria 47
CA - Canada 42
ES - Italia 39
JP - Giappone 32
JO - Giordania 28
BE - Belgio 24
MX - Messico 22
BD - Bangladesh 21
CI - Costa d'Avorio 20
EC - Ecuador 19
CL - Cile 17
IQ - Iraq 17
ZA - Sudafrica 15
SC - Seychelles 13
IR - Iran 11
PT - Portogallo 11
UZ - Uzbekistan 11
VE - Venezuela 11
AE - Emirati Arabi Uniti 9
CO - Colombia 9
MA - Marocco 9
PY - Paraguay 9
AZ - Azerbaigian 7
PK - Pakistan 7
SA - Arabia Saudita 7
BJ - Benin 5
PH - Filippine 5
BH - Bahrain 4
DO - Repubblica Dominicana 4
DZ - Algeria 4
EU - Europa 4
LT - Lituania 4
PE - Perù 4
TT - Trinidad e Tobago 4
BY - Bielorussia 3
EG - Egitto 3
HR - Croazia 3
KW - Kuwait 3
NP - Nepal 3
RS - Serbia 3
TJ - Tagikistan 3
UY - Uruguay 3
AD - Andorra 2
BN - Brunei Darussalam 2
DK - Danimarca 2
GT - Guatemala 2
HN - Honduras 2
IL - Israele 2
KE - Kenya 2
KG - Kirghizistan 2
KZ - Kazakistan 2
LV - Lettonia 2
MD - Moldavia 2
PS - Palestinian Territory 2
TN - Tunisia 2
VG - Isole Vergini Britanniche 2
XK - ???statistics.table.value.countryCode.XK??? 2
A1 - Anonimo 1
AL - Albania 1
BG - Bulgaria 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
KH - Cambogia 1
LB - Libano 1
MN - Mongolia 1
Totale 23.169
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Città #
Santa Clara 2.184
Warsaw 1.965
Fairfield 1.495
Ashburn 968
Singapore 723
Hong Kong 718
Woodbridge 702
Seattle 620
Cambridge 594
Dublin 522
Houston 522
Chandler 501
Wilmington 460
Seoul 420
Ann Arbor 265
Florence 248
Jacksonville 244
Hefei 231
Lawrence 205
Beijing 202
Altamura 178
Princeton 160
Los Angeles 133
Medford 116
Moscow 111
Buffalo 101
Boardman 96
Melbourne 91
Mumbai 76
Ho Chi Minh City 71
Izmir 71
Boston 67
San Diego 64
São Paulo 61
Dallas 53
Bern 52
Hanoi 52
Jakarta 48
Munich 48
Kent 46
Vienna 45
Shanghai 43
Dong Ket 42
Paris 37
Rome 37
Milan 36
Menlo Park 32
New York 32
Clifton 30
The Dalles 25
Brussels 24
Rio de Janeiro 24
Andover 21
Norwalk 21
Abidjan 20
Chicago 20
Falls Church 20
Helsinki 20
London 19
Toronto 18
Belo Horizonte 17
Brooklyn 17
Redondo Beach 17
Tokyo 17
Da Nang 16
Hillsboro 16
Barcelona 15
Naples 15
Phoenix 15
Bologna 14
Amsterdam 13
Lappeenranta 13
Turku 13
Nanjing 12
Tianjin 12
Xian 12
Curitiba 11
Orem 11
Pisa 11
Montreal 10
Poplar 10
Rufina 10
Sabadell 10
Tashkent 10
Bengaluru 9
Brasília 9
Johannesburg 9
Quito 9
Atlanta 8
Campi Bisenzio 8
Council Bluffs 8
Frankfurt am Main 8
Perugia 8
Prato 8
Rotterdam 8
Salt Lake City 8
West Jordan 8
Yubileyny 8
Haiphong 7
Hangzhou 7
Totale 16.497
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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 287
Conformational structure of the MOG-derived peptide 101-108 in solution 274
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories 264
I. Dissociation free energies of drug-receptor systems: Via non-equilibrium alchemical simulations: A theoretical framework 258
Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code 256
Statistical thermodynamic basis in drug-receptor interactions: double annihilation and double decoupling alchemical theories, revisited 253
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method 246
Orac 5 User Manual, Release 5.3: A Molecular Dynamics Program to Simulate Complex Molecular System at the atomistic level 238
Boosting conformational sampling in lipid bilayer simulations using hamiltonian replica exchange 236
Efficient Nonequilibrium Method for Binding Free Energy Calculations in Molecular Dynamics Simulations 221
Comment on “Efficient stress relaxation in molecular dynamics simulations of semiflexible n-alkanes” [Phys. Rev. E. 58, 6766 (1998)] 219
Blocking the FKBP12 induced dendrimeric burst in aberrant aggregation of α-synuclein by using the ElteN378 synthetic inhibitor 219
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems 214
IBM DSD Report: Part B: Triplet Correlations in NCC water 213
Solvation free energies via alchemical simulations: let's get honest about sampling, once more 213
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
SAMPL6 host-guest blind predictions using a non equilibrium alchemical approach 204
Lipid tempering simulation of model biological membranes on parallel platforms 198
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 195
Electrical response in chemical potential equalization schemes 193
IBM DSD Report: Structure and Dynamics of Water in the Crystal of Myoglobin 193
Anharmonic lattice dynamics and computer simulation for simple model systems 191
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration 188
Characterization of MCL1 inhibition via Fast Switching Double annihilation technology on the CRESCO3 cluster 187
Identification of Potential inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand   Design, Molecular Docking and Nonequilibrium Alchemical Simulations 185
A compound for the determination of the protein FKBP12 and a sensor unit comprising it 184
Conformational distribution of gas-phase glycerol 184
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations 184
Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches 182
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle 181
Fast switching alchemical simulations: a non equilibrium approach for drug discovery projects on parallel platforms 179
Glycerol condensed phases Part I. A molecular dynamics study 177
Thermodynamics of stacking interactions in proteins 174
Towards a polarizable force field for molecular liquids 173
Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain 173
Problems in molecular dynamics of condensed phases 172
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding 172
Simulated structure, dynamics and vibrational spectra of liquid benzene 171
Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine 170
Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine 170
Comment on “From Subtle to Substantial: Role of Metal Ions on π−π Interactions” 170
2-Butanol Aqueous Solutions: A Combined Molecular Dynamics and Small/Wide-Angle X-ray Scattering Study 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
Energy dissipation asymmetry in the non equilibrium folding/unfolding of the single molecule alanine decapeptide 166
Comment on "Classical polarizable force fields parametrized from ab initio calculations" [J. Chem. Phys. 117, 1416 (2002)] 165
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 165
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations 164
Anharmonic calculation of bandwidths and frequency shifts in crystalline CO2 164
Energy-Driven Undocking (EDU-HREM) in Solute Tempering Replica Exchange Simulations 164
HPC-DRIVEN HIT-TO-LEAD PROCESS FOR SARS-COV-2 MAIN PROTEASE INHIBITION 162
New Perspective on How and Why Immunophilin FK506-Related Ligands Work 162
Media effects in modulating the conformational equilibrium of a model compound for tumor necrosis factor converting enzyme inhibition 161
Density functional calculation of structural and vibrational properties of glycerol 160
A vibrational potential function for molecular dynamics simulation of buckminsterfullerene 160
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACS 160
Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat 158
Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states 158
Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling 158
Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease 156
Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases 155
Upgrading and Validation of the AMBER Force Field for Histidine and Cysteine Zinc(II)-Binding Residues in Sites with Four Protein Ligands 155
A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin 155
A Very Fast Molecular Dynamics Method To Simulate Biomolecular Systems with Realistic Electrostatic Interactions 155
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators 153
Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair 153
The Precise Chemical−Physical Nature of the Pharmacore in FK506 Binding Protein Inhibition: ElteX, a New Class of Nanomolar FKBP12 Ligands 152
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b′]- and -[1,2-b:5,6-b′]dithiophenes 152
Energetic fitness of histidine protonation states in PDB structures 151
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations 150
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: A strategy based on the equations of motion 150
A potential of mean force estimator based on nonequilibrium work exponential averages 149
Key role of the polarization anisotropy of water in modeling classical polarizable force fields 149
PrimadORAC: a free web interface for the assignment of partial charges, chemical topology and bonded parameters in organic or drug molecules 148
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 147
Nonequilibrium Alchemical Simulations for the Development of Drugs Against Covid-19 147
Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness 146
Is the T-shaped toluene dimer a stable intermolecular complex? 146
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer 146
Chiral/ring closed vs. achiral/open chain triazine-based organogelators: induction and amplification of supramolecular chirality in organic gels 145
Vibrational frequencies of C70 144
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding 143
Multiple time scale methods for constant pressure molecular dynamics simulations of molecular systems 142
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] 142
Blind Predictions for the SAMPL9 Host-Guest Challenge 138
Stacking and T-shape competition in aromatic−aromatic amino acid interactions 138
Alchemical determination of drug-receptor binding free energy: where we stand and where we could move to 138
Upgraded AMBER Force Field for Zinc-Binding Residues and Ligands for Predicting Structural Properties and Binding Affinities in Zinc-Proteins 138
Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixtures 137
Intraligand Hydrophobic Interactions Rationalize Drug Affinities for Peptidyl−Prolyl Cis−Trans Isomerase Protein 137
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations 136
II. Dissociation free energies in drug–receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands 136
Polar phonons in SO2 single crystal 135
Evidence of a Low-High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study 135
ORAC: A Molecular Dynamics Program to Simulate Complex Molecular Systems with Realistic Electrostatic Interactions 134
Vibrational density of states and homogeneous linewidth in molecular crystals: Many-phonon processes in nitrogen 134
Fragment 101−108 of Myelin Oligodendrocyte Glycoprotein: A Possible Lead Compound for Multiple Sclerosis 134
Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges 134
Correction to "Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness" 133
Chemical–physical analysis of a tartrate model compound for TACE inhibition 132
Totale 17.240
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Categoria #
all - tutte 63.291
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 63.291
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.295 0 0 0 0 0 202 133 153 181 281 128 217
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
2025/20264.085 696 1.060 712 661 805 151 0 0 0 0 0 0
Totale 23.456