IRIS Institutional Research Information System - AIR Archivio Istituzionale della Ricerca

PEDRETTI, ALESSANDRO
 Distribuzione geografica
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Continente #
EU - Europa 9.120
AS - Asia 8.026
NA - Nord America 7.963
SA - Sud America 743
AF - Africa 146
OC - Oceania 35
Continente sconosciuto - Info sul continente non disponibili 8
Totale 26.041
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Nazione #
US - Stati Uniti d'America 7.757
GB - Regno Unito 2.669
CN - Cina 2.502
SG - Singapore 2.409
IT - Italia 1.777
DE - Germania 1.227
HK - Hong Kong 783
RU - Federazione Russa 782
SE - Svezia 750
BR - Brasile 513
FR - Francia 497
VN - Vietnam 472
IN - India 409
TR - Turchia 347
NL - Olanda 327
KR - Corea 313
UA - Ucraina 254
IE - Irlanda 246
BD - Bangladesh 239
FI - Finlandia 194
ID - Indonesia 130
EU - Europa 118
CA - Canada 104
JP - Giappone 90
CO - Colombia 82
PH - Filippine 77
DK - Danimarca 56
AR - Argentina 55
MX - Messico 50
PK - Pakistan 45
GR - Grecia 44
AT - Austria 41
ES - Italia 39
PL - Polonia 39
BE - Belgio 37
IQ - Iraq 35
ZA - Sudafrica 34
AU - Australia 32
EC - Ecuador 29
UZ - Uzbekistan 29
CH - Svizzera 28
CI - Costa d'Avorio 28
CZ - Repubblica Ceca 20
SA - Arabia Saudita 19
EG - Egitto 18
MA - Marocco 17
AE - Emirati Arabi Uniti 16
CL - Cile 16
MY - Malesia 16
RO - Romania 14
VE - Venezuela 14
TW - Taiwan 13
IR - Iran 12
PT - Portogallo 12
PY - Paraguay 12
TN - Tunisia 11
BO - Bolivia 9
JO - Giordania 9
KE - Kenya 9
AL - Albania 8
CR - Costa Rica 8
HU - Ungheria 8
PE - Perù 8
TT - Trinidad e Tobago 8
LU - Lussemburgo 7
NO - Norvegia 7
NP - Nepal 7
TH - Thailandia 7
BY - Bielorussia 6
IL - Israele 6
KZ - Kazakistan 6
JM - Giamaica 5
LT - Lituania 5
LV - Lettonia 5
RS - Serbia 5
AM - Armenia 4
AZ - Azerbaigian 4
BA - Bosnia-Erzegovina 4
BG - Bulgaria 4
HN - Honduras 4
KW - Kuwait 4
PA - Panama 4
PS - Palestinian Territory 4
SC - Seychelles 4
UY - Uruguay 4
A2 - ???statistics.table.value.countryCode.A2??? 3
BB - Barbados 3
CG - Congo 3
DO - Repubblica Dominicana 3
DZ - Algeria 3
GT - Guatemala 3
KH - Cambogia 3
MD - Moldavia 3
NG - Nigeria 3
NZ - Nuova Zelanda 3
SY - Repubblica araba siriana 3
BS - Bahamas 2
ET - Etiopia 2
GE - Georgia 2
GH - Ghana 2
Totale 26.113
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Città #
Southend 2.442
Singapore 1.362
Ashburn 841
Hong Kong 719
Milan 707
Beijing 502
Chandler 478
San Jose 476
Hanover 378
Seattle 376
Council Bluffs 350
Princeton 339
Dallas 282
Wilmington 262
Dublin 240
Santa Clara 219
Fairfield 217
Los Angeles 213
Brooklyn 204
Ann Arbor 202
Hefei 178
Mountain View 169
Lauterbourg 159
Frankfurt am Main 157
Bengaluru 156
Redmond 153
Jacksonville 150
Dearborn 147
Munich 137
Nanjing 136
Ho Chi Minh City 133
New York 133
Moscow 123
Buffalo 121
Boardman 117
Woodbridge 117
Houston 113
Hanoi 111
Seoul 105
Guangzhou 96
Somerville 93
Sakarya 88
Jakarta 87
Des Moines 84
Cambridge 81
Andover 76
Bogotá 73
Jinan 67
Columbus 64
Serra 63
Rome 60
The Dalles 59
Phoenix 57
Helsinki 56
Tokyo 55
Shenyang 53
Shanghai 51
São Paulo 51
Tianjin 51
Toronto 47
Cangzhou 46
Eitensheim 45
Nanchang 44
Berlin 43
Istanbul 41
Changsha 40
Redwood City 40
Athens 39
Medford 39
Hamburg 37
Hebei 35
Bühl 34
Turin 34
Brussels 33
Naples 31
Zhengzhou 31
Varedo 29
Fuzhou 27
Hangzhou 27
Abidjan 26
Jiaxing 26
Washington 26
Amsterdam 25
Atlanta 25
Ningbo 24
Odernheim 24
Da Nang 23
Nuremberg 23
Falls Church 22
Shenzhen 22
Tashkent 22
Düsseldorf 21
Paris 20
Boston 19
Chicago 19
Lappeenranta 19
Warsaw 19
Haiphong 18
Mumbai 18
San Diego 18
Totale 15.990
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Nome #
Design, synthesis, ADME properties, and pharmacological activities of β-alanyl-D-histidine (D-carnosine) prodrugs with improved bioavailability 435
Synthesis, structure–activity relationships andstereochemical investigations of new tricyclic pyridazinone derivatives as potential STAT3 inhibitors 369
The VEGA suite of programs: a versatile platform for cheminformatics and drug design projects 355
Molecular Dynamics as a tool for in silico screening of skin permeability 324
Molecular fields to assess recognition forces and property spaces 323
MUSA: A platform for data-intensive services in Edge-Cloud Continuum 314
Structure–affinity studies for a novel series of homochiral naphtho and tetrahydronaphtho analogues of α1 antagonist WB-4101 302
Picomolar Inhibition of Plasmepsin V, an Essential Malaria Protease, Achieved Exploiting the Prime Region 284
QSAR study for a novel series of ortho monosubstituted phenoxy analogues of alpha(1)-adrenoceptor antagonist WB4101 282
Type 2 Diabetes Mellitus: A Review of Multi-Target Drugs 261
MetaClass, a comprehensive classification system for predicting the occurrence of metabolic reactions based on the MetaQSAR database 259
The VIRTCHEM project: the virtual immersive education for chemistry and chemical engineering 246
Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors 243
Carnosine phenyl derivatives as specific and efficient sequestering agents of cytotoxic Reactive Carbonyl Species (RCS) 242
SPILLO-PBSS : detecting hidden binding sites within protein 3D-structures through a flexible structure-based approach 241
Rescoring and Linearly Combining: a Highly Effective Consensus Strategy for Virtual Screening Campaigns 240
QSAR study for a novel series of ortho disubstituted phenoxy analogues of a1-adrenoceptor antagonist WB4101 227
Range and sensitivity as descriptors of molecular property spaces in dynamic QSAR analyses 221
Docking analyses on human muscarinic receptors : unveiling the subtypes peculiarities in agonists binding 219
Influence of ionization state on the activation of temocapril by hCES1: a molecular-dynamics study 218
Repositioning dequalinium as potent muscarinic allosteric ligand by combining virtual screening campaigns and experimental binding assays 216
Analisi farmaceutica 215
Benzothiadiazole derivatives endowed with STAT3 inhibition 214
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease 211
Identification of novel potential B4GALT6 inhibitors through a large scale virtual screening 208
Binding site analysis of full-length alpha1a adrenergic receptor using homology modeling and molecular docking 207
VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming 207
Towards the Inhibition of Protein–Protein Interactions (PPIs) in STAT3: Insights into a New Class of Benzothiadiazole Derivatives 206
The use of the naphthyl probe to scan the alpha-1A/5HT1A receptor binding sites: discovery of novel alpha-1A selective antagonists 205
Synthesis, structure-activity relationships and stereochemical investigations on new tricyclic pyridazinone derivatives as potential STAT3 inhibitors 205
Solvent constraints on the property space of acetylcholine. I. Isotropic solvents 204
Muscarinic receptors: a comparative analysis of structural features and binding modes through homology modelling and molecular docking 204
Novel Method for Prioritizing Protein Binding Sites Using Pocket Analysis and MD Simulations 202
VEGA: a versatile program to convert, handle and visualize molecular structure on windows-based PCs 201
A comprehensive mapping of the druggable cavities within the SARS-CoV-2 therapeutically relevant proteins by combining pocket and docking searches as implemented in pockets 2.0 199
Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity 198
Studies on potential STAT-3 inhibitors: reactivity and behaviour of furazan derivatives 198
Exploring the space of histidine containing dipeptides in search of novel efficient RCS sequestering agents 195
Obesity and Type 2 Diabetes: Adiposopathy as a Triggering Factor and Therapeutic Options 194
Simulation of urea-induced protein unfolding: a lesson from bovine beta-lactoglobulin 194
Enhanced activity or resistance of adenosine derivatives towards adenosine deaminase-catalyzed deamination : influence of ribose modifications 192
Prediction of the formation of reactive metabolites by a novel classifier approach based on enrichment factor optimization (EFO) as implemented in the VEGA program 192
Solvent constraints on the property space of acetylcholine. 2. Ordered media 191
DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF NON-PEPTIDIC INHIBITORS OF FARNEYLTRANSFRERASE 191
Atom-Type Description Language: a universal language to recognize atom types implemented in the VEGA program 190
Identification of two novel isoforms of the ZNF162 gene: a growing family of signal transduction and activator of RNA (STAR) proteins 190
In-depth age and ale profiling of human albumin in heart failure : Ex vivo studies 190
MetaQSAR: An Integrated Database Engine to Manage and Analyze Metabolic Data 189
A molecular modelling approach to rationalize the stereochemical outcome of the Burkholderia cepacia lipase-catalyzed transesterification of aromatic primary alcohols with vinyl esters with different chain lengths in chloroform 188
Merged structures as new STAT3 inhibitors: the chimera compounds 187
Atomic diversity, molecular diversity, and chemical diversity : the concept of chemodiversity 186
Unraveling the interaction mechanism of a benzothiadiazole-2.2-dioxide derivative with STAT3 : towards novel direct inhibitors 186
MetaTREE, a novel database focused on metabolic trees, predicts an important detoxification mechanism : The glutathione conjugation 182
VIRTCHEM: Dall’atomo all’impianto virtuale [VIRTCHEM: From the atom to the virtual plant] 179
Modeling of intestinal peptide transporter hPepT1 and analysis of its transport capacities by docking and pharmacophore mapping 179
A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors 177
A new paradigm for Artificial Intelligence based on Group Equivariant Non-Expansive Operators (GENEOs) applied to protein pocket detection 175
Modelling of binding modes and inhibition mechanism of some natural ligands of farnesyl transferase using molecular docking 175
Virtual screening approach for the identification of potential Citrus tristeza virus inhibitors 175
Construction of human ghrelin receptor (hGHS-R1a) model using a fragmental prediction approach and validation through docking analysis 174
Novel selective, potent naphthyl TRPM8 antagonists identified through a combined ligand-and structure-based virtual screening approach 174
The VEGA web service: multipurpose online tools for molecular modelling and docking analyses 173
Lipophilicity profile of WB-4101 analogues using the ILM approach 173
MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database 171
Development on furazan derivatives as potential STAT-3 inhibitors 169
An integrated high resolution mass spectrometric and informatics approach for the rapid identification of flavonoids in plant extract 169
Combining molecular dynamics and docking simulations to develop targeted protocols for performing optimized virtual screening campaigns on the HTRPM8 channel 168
Tree2c: A flexible tool for enabling model deployment with special focus on cheminformatics applications 168
Comparison between newborn pig and human skins as membrane models in ex-vivo drug permeation studies 166
Modelling of the interactions of some inhibitors with the PGHS-1 by BIODOCK – a stochastic approach to the automated docking of ligands to biomacromolecules 166
Computational approaches in the rational design of improved carbonyl quenchers : focus on histidine containing dipeptides 164
The solute-solvent system: solvent constraints on the conformational dynamics of acetylcholine 162
Modelling of full-length human α4β2 nicotinic receptor by fragmental approach and analysis of its binding modes 161
Modelling of the interactions of some inhibitors with the farnesyl protein transferase by BioDock - Stochastic approach to automated docking of ligands to biomacromolecules 161
Cytotoxic reactive carbonyl species (RCS) : from metabolic studies to the discovery of novel RCS sequestering agents 161
Simulation data for an estimation of the maximum theoretical value and confidence interval for the correlation coefficient 161
Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities 160
In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations 159
VEGA ZZ 2.4.0 - Molecular Modelling Toolkit 158
A fresh Look at molecular structure and properties 157
Tricyclic Pyridazinone derivatives : development of new STAT-3 inhibitors 156
Molecular Hydropathicity Index: application to a series of allosteric modulators of the M2 receptors 156
Analysis of the full-length integrase DNA complex by a modified approach for DNA docking 155
In silico prediction of metabolism by human carboxylesterase-1 (hCES1) combining docking analyses and MD simulations 153
Interactions of some PGHS-2 Selective Inhibitors with the PGHS-1: an Automated Docking Study by BioDock 153
5,6-Dimethyl-1,3-dihydrobenzo[c][1,2,5]thiadiazole-2,2-dioxide as new STAT3 inhibitor 152
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative 151
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies 151
A geometric XAI approach to protein pocket detection 149
Chemodiversity and molecular plasticity : recognition processes as explored by property spaces 149
Impiego di metodiche computazionali basate su GRID nella progettazione di molecole bioattive 148
Exploring scaffolds to discover new STAT3 inhibitors, as novel anticancer agents. 148
Explainable Machine Learning based on Group Equivariant Non-Expansive Operators (GENEOs). Protein pocket detection: a case study 147
Reactions and enzymes in the metabolism of drugs and other xenobiotics 147
Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis 146
Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database 146
DompeKeys: A set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases 145
Ensemble of structure and ligand-based classification models for hERG liability profiling 145
Molecular fields to assess recognition forces and property spaces 145
The conformational and property space of acetylcholine bound to muscarinic receptors : an entropy component accounts for the subtype selectivity of acetylcholine 145
Totale 19.664
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Categoria #
all - tutte 75.546
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 75.546
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021455 0 0 0 0 0 0 0 0 0 0 356 99
2021/20222.058 153 53 72 93 219 146 256 94 273 158 198 343
2022/20232.073 331 181 197 207 193 387 71 138 197 32 92 47
2023/20241.492 63 134 80 70 268 80 89 97 70 142 174 225
2024/20254.047 155 339 97 380 321 211 171 440 194 392 350 997
2025/20268.387 850 589 928 684 812 592 1.019 545 969 690 709 0
Totale 27.450