CINECA IRIS Institutional Research Information System

SPYRAKIS, Francesca
 Distribuzione geografica
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Continente #
NA - Nord America 3.367
EU - Europa 2.381
AS - Asia 1.085
SA - Sud America 58
AF - Africa 42
OC - Oceania 23
Continente sconosciuto - Info sul continente non disponibili 2
Totale 6.958
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Nazione #
US - Stati Uniti d'America 3.303
IT - Italia 912
CN - Cina 500
IE - Irlanda 449
FR - Francia 225
SE - Svezia 218
DE - Germania 103
IN - India 103
UA - Ucraina 90
VN - Vietnam 84
GB - Regno Unito 80
JP - Giappone 63
HK - Hong Kong 62
CA - Canada 52
PL - Polonia 50
KR - Corea 48
MY - Malesia 43
TR - Turchia 43
AT - Austria 37
FI - Finlandia 37
BR - Brasile 30
IR - Iran 26
PK - Pakistan 26
AU - Australia 23
ES - Italia 21
SG - Singapore 20
NL - Olanda 19
BE - Belgio 18
RO - Romania 18
CH - Svizzera 17
DK - Danimarca 17
TW - Taiwan 15
MA - Marocco 14
NO - Norvegia 14
MX - Messico 12
RU - Federazione Russa 12
PT - Portogallo 11
TH - Thailandia 11
CL - Cile 10
ID - Indonesia 10
NG - Nigeria 9
RS - Serbia 8
AR - Argentina 6
CO - Colombia 6
IL - Israele 6
TZ - Tanzania 6
EG - Egitto 5
GR - Grecia 5
PH - Filippine 5
SK - Slovacchia (Repubblica Slovacca) 5
EC - Ecuador 4
KW - Kuwait 4
SI - Slovenia 4
ZA - Sudafrica 4
SA - Arabia Saudita 3
AE - Emirati Arabi Uniti 2
AF - Afghanistan, Repubblica islamica di 2
BA - Bosnia-Erzegovina 2
BO - Bolivia 2
CZ - Repubblica Ceca 2
DZ - Algeria 2
EE - Estonia 2
EU - Europa 2
HU - Ungheria 2
IQ - Iraq 2
YE - Yemen 2
AM - Armenia 1
BG - Bulgaria 1
BY - Bielorussia 1
CM - Camerun 1
LB - Libano 1
LU - Lussemburgo 1
MO - Macao, regione amministrativa speciale della Cina 1
NP - Nepal 1
SC - Seychelles 1
UZ - Uzbekistan 1
Totale 6.958
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Città #
Chandler 476
Dublin 446
Beijing 242
Fairfield 234
Torino 198
Houston 169
Villeurbanne 158
Ashburn 153
Nyköping 142
Turin 142
Woodbridge 118
Los Angeles 115
Wilmington 112
Princeton 100
Seattle 95
Cambridge 80
Medford 77
Ann Arbor 75
Pisa 68
Redwood City 66
Boston 59
Dong Ket 50
Jacksonville 49
Dearborn 41
Warsaw 38
Subang Jaya 37
Zola Predosa 36
Vienna 35
Hangzhou 33
San Diego 31
Norwalk 26
Shanghai 23
Hong Kong 22
Nanjing 22
Washington 21
Ottawa 20
Istanbul 19
Rome 18
Milan 17
Guangzhou 16
Central 15
Gongju 15
Helsinki 15
Parma 15
Seoul 15
Toronto 15
New York 13
San Mauro Torinese 13
Chennai 12
Hefei 12
Kunming 12
Lappeenranta 12
Modena 12
Tokyo 12
Bengaluru 11
Boardman 11
Karachi 11
Perugia 11
Braunschweig 10
Brussels 10
Paris 10
Wuhan 10
Birmingham 9
Buffalo 9
Casteggio 9
Hebei 9
London 9
Rivoli 9
Alessandria 8
Bari 8
Boffalora sopra Ticino 8
Pune 8
Bangkok 7
Barcelona 7
Brisbane 7
Changsha 7
Chengdu 7
Copenhagen 7
Kahramanmaraş 7
Santiago 7
Shenyang 7
Shiraz 7
Tromsø 7
Tübingen 7
Abuja 6
Avigliana 6
Balotesti 6
Bethesda 6
Bradford 6
Chandigarh 6
Fes 6
Fremont 6
Leeds 6
Leinì 6
Maddaloni 6
Mountain View 6
Padova 6
Portiragnes 6
Siena 6
Singapore 6
Totale 4.417
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Nome #
Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities 361
Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case 262
Essential oils bearing specialized metabolites with potential hypoglycemic activity: a bio-guided fractionation approach driven by in vitro (porcine, human and fungal) α-amylase inhibition assays 219
In the search for new NLRP3 inhibitors: chemical modulation of the 1-(piperidin-4-yl)-1,3-dihydro-2 Hbenzo[d]imidazole-2-one scaffold 213
The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery 169
Multiple catalytic activities of human 17β-hydroxysteroid dehydrogenase type 7 respond differently to inhibitors. 158
Recent advances in the synthesis of analogues of phytohormones strigolactones with ring-closing metathesis as a key step 150
Structure Activity Relationship of strigolactones via a novel, quantitative in planta bioassay 141
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins 137
Long period fiber grating working in reflection mode as valuable biosensing platform for the detection of drug resistant bacteria 134
Strigolactones as antiviral drugs to inhibit Herpesvirus replication 125
Strigolactone analogs are promising antiviral agents against Herpesviruses 121
Fluorescent Nitric Oxide Photodonors Based on BODIPY and Rhodamine Antennae 117
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin 116
Targeting cystalysin, a virulence factor of Treponema denticola-supported periodontitis 113
New aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the hydroxytriazole scaffold 111
Ligand migration through hemeprotein cavities: Insights from laser flash photolysis and molecular dynamics simulations 107
Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases 107
4-amino-1,2,4-triazole-3-thione as a promising scaffold for the inhibition of serine and metallo-β-lactamases 106
New inhibitors of Aldo-Keto Reductase 1C3 (AKR1C3) based on benzoisoxazole scaffold and their potential application in cancer 106
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 105
Evaluation of Porcine and Aspergillus oryzae α-Amylases as Possible Model for the Human Enzyme 103
Tuning the Hydrophobicity of a Mitochondria-Targeted NO Photodonor 95
Chemical modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazole-2-one scaffold as a novel NLRP3 inhibitor 88
DNA-targeted NO release photoregulated by green light 88
Paracetamol-Galactose Conjugate: A Novel Prodrug for an Old Analgesic Drug 86
Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-beta-lactamases 84
Iron metabolism at the interface between host and pathogen: From nutritional immunity to antibacterial development 84
Strigolactone Analogs Are Promising Antiviral Agents for the Treatment of Human Cytomegalovirus Infection. 81
Pyridoxal 5-phosphate-dependent enzymes: Catalysis, conformation, and genomics 80
New Hydroxybenzoazole Inhibitors of Aldo-Keto Reductase 1C3 (AKR1C3): Disclosure of SAR Investigation to Target Prostate Cancer 77
Interaction of human hemoglobin and semi-hemoglobins with the Staphylococcus aureus hemophore IsdB: a kinetic and mechanistic insight 77
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 72
Decoding the Structural Basis For Carbapenem Hydrolysis By Class A β-lactamases: Fishing For A Pharmacophore 71
Bound water at protein-protein interfaces: Partners, roles and hydrophobic bubbles as a conserved motif 66
Strigolactones as broad-spectrum antivirals against β-coronaviruses through targeting the main protease Mpro 63
Chemogenomics of pyridoxal 5′-phosphate dependent enzymes 63
Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors? 61
Isozyme-Specific Ligands for O-acetylserine sulfhydrylase, a Novel Antibiotic Target 58
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions 55
Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description 53
Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors 53
Complexity in modeling and understanding protonation states: Computational titration of HIV-1-protease-inhibitor complexes 53
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by saturation transfer difference-NMR 51
Correct protonation states and relevant waters = better computational simulations? 50
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex 50
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics 50
BioGPS: The music for the chemo- and bioinformatics walzer 50
Strigolactone analogs are promising antiviral agents for the treatment of human cytomegalovirus infection 50
The consequences of scoring docked ligand conformations using free energy correlations 48
Ten Years with New Delhi Metallo-β-lactamase-1 (NDM-1): From Structural Insights to Inhibitor Design 47
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 46
Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit 46
Multiple-targeting ligands for AKR1C3 enzyme and androgen receptor to target prostate cancer 46
First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase 45
Strigolactone Analogs Are Promising Antiviral Agents for the Treatment of Human Cytomegalovirus Infection 45
Strigolactones as broad-spectrum antivirals against β-coronaviruses through targeting SARS-CoV-2 Mpro 44
Strigolactones as broad-spectrum antivirals against ß-coronaviruses through targeting the main protease Mpro 44
FADB: A food additive molecular database for in silico screening in food toxicology 44
Label-free fiber optic optrode for the detection of class C beta-lactamases expressed by drug resistant bacteria 44
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow 44
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 42
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 41
Indomethacin Inhibits Proliferation In Cells Harbouring PIK3CA Mutations 40
Structure-based virtual screening for the discovery of novel inhibitors of New Delhi Metallo-beta-lactamase-1 39
Binding of androgen-and estrogen-like flavonoids to their cognate (Non)nuclear receptors: A comparison by computational prediction 39
BROAD SPECTRUM METALLO beta-LACTAMASES INHIBITORS: NEW TOOLS AGAINST CLINICALLY-RELEVANT CARBAPENEMASES 38
A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth 38
Novel peptide-conjugated nanomedicines for brain targeting: In vivo evidence 38
Theoretical calculations of the catalytic triad in short-chain alcohol dehydrogenases/reductases 37
Oxygen and nitric oxide rebinding kinetics in nonsymbiotic hemoglobin AHb1 from Arabidopsis thaliana 36
Rational design of a user-friendly aptamer/peptide-based device for the detection of staphylococcus aureus 36
Design of O-acetylserine sulfhydrylase inhibitors by mimicking nature 35
The inhibition of extended spectrum β-lactamases: Hits and leads 35
A generator of peroxynitrite activatable with red light 34
How computational methods try to disclose the estrogen receptor secrecy - Modeling the flexibility 34
Energy-based prediction of amino acid-nucleotide base recognition 33
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) 32
Energetics of the protein-DNA-water interaction 31
A novel Bim-BH3-derived Bcl-XL inhibitor: Biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 31
Investigation into the Use of Encorafenib to Develop Potential PROTACs Directed against BRAFV600E Protein 30
Editorial: Thematic issue: From extended spectrum β-lactamases to carbapenemase: The never ending challenge against gram-negative bacteria 30
Discovery of a novel 1,3,4-oxadiazol-2-one-based NLRP3 inhibitor as a pharmacological agent to mitigate cardiac and metabolic complications in an experimental model of diet-induced metaflammation 29
Strigolactones, from Plants to Human Health: Achievements and Challenges 29
A structural homologue of the plant receptor D14 mediates responses to strigolactones in the fungal phytopathogen Cryphonectria parasitica 29
Exploring Ligand Binding Domain Dynamics in the NRs Superfamily 28
HYDROXYLATED HETEROCYCLES AS BIOISOSTERES OF THE CARBOXYLIC FUNCTION: DESIGN OF NEW AKR1C3 INHIBITORS ACTIVE IN PROSTATE CANCER 27
Lack of interaction of the fluorosurfactant C6O4 with human renal transporters: In vitro/in silico analysis 27
Serine racemase: A key player in neuron activity and in neuropathologies 27
Editorial [Hot topic: Applying Induced Fit in Drug Discovery: Square Pegs and Round Holes? (Guest Editors: Francesca Spyrakis, Pietro Cozzini, Aurijit Sarkar and Glen E. Kellogg)] 27
Ligand migration and hexacoordination in type 1 non-symbiotic rice hemoglobin 27
Structural plasticity and functional implications of internal cavities in distal mutants of type 1 non-symbiotic hemoglobin AHb1 from Arabidopsis thaliana 27
Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction 25
Robust classification of "relevant" water molecules in putative protein binding sites 25
NO release regulated by doxorubicin as the green light-harvesting antenna 25
Target flexibility: An emerging consideration in drug discovery and design 24
The reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is controlled by the distal HisE7 and internal hydrophobic cavities 24
Getting it right: Modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets 24
Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 3. The free energy contribution of structural water molecules in HIV-1 protease complexes 23
Water: How to evaluate its contribution in protein-ligand interactions 23
Totale 6.852
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Categoria #
all - tutte 23.566
article - articoli 0
book - libri 0
conference - conferenze 4.042
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 27.608
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019169 0 0 0 0 0 0 0 0 0 0 125 44
2019/2020793 44 25 23 127 40 85 106 81 79 81 57 45
2020/2021893 50 55 62 36 87 79 127 48 102 68 51 128
2021/20221.053 44 56 72 61 59 35 60 54 40 77 272 223
2022/20231.993 134 155 58 192 168 501 179 132 202 66 95 111
2023/20241.293 136 162 125 106 121 135 200 146 29 130 3 0
Totale 7.364