IRIS
SPYRAKIS, Francesca
 Distribuzione geografica
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Continente #
NA - Nord America 3.602
AS - Asia 2.868
EU - Europa 2.149
SA - Sud America 363
AF - Africa 121
Continente sconosciuto - Info sul continente non disponibili 108
OC - Oceania 3
Totale 9.214
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Nazione #
US - Stati Uniti d'America 3.498
SG - Singapore 962
CN - Cina 895
VN - Vietnam 432
FI - Finlandia 384
IE - Irlanda 349
SE - Svezia 341
DE - Germania 307
BR - Brasile 279
IT - Italia 278
HK - Hong Kong 213
UA - Ucraina 157
ZA - Sudafrica 89
TR - Turchia 88
BD - Bangladesh 87
FR - Francia 84
NL - Olanda 78
CA - Canada 68
GB - Regno Unito 46
RU - Federazione Russa 37
IN - India 27
JP - Giappone 26
AR - Argentina 23
IQ - Iraq 21
KR - Corea 18
PH - Filippine 16
ID - Indonesia 15
MX - Messico 15
IR - Iran 14
VE - Venezuela 14
EC - Ecuador 13
PK - Pakistan 13
BE - Belgio 12
ES - Italia 12
AT - Austria 10
CL - Cile 10
CO - Colombia 10
CZ - Repubblica Ceca 10
CI - Costa d'Avorio 8
CH - Svizzera 7
LT - Lituania 7
MA - Marocco 7
PL - Polonia 7
TH - Thailandia 7
PE - Perù 6
CR - Costa Rica 5
JM - Giamaica 5
PY - Paraguay 5
TW - Taiwan 5
AE - Emirati Arabi Uniti 4
KE - Kenya 4
RS - Serbia 4
TN - Tunisia 4
UZ - Uzbekistan 4
HU - Ungheria 3
IL - Israele 3
JO - Giordania 3
LC - Santa Lucia 3
MY - Malesia 3
SA - Arabia Saudita 3
AU - Australia 2
AZ - Azerbaigian 2
BO - Bolivia 2
BY - Bielorussia 2
DZ - Algeria 2
EE - Estonia 2
EU - Europa 2
GT - Guatemala 2
HN - Honduras 2
KZ - Kazakistan 2
LU - Lussemburgo 2
PA - Panama 2
PT - Portogallo 2
QA - Qatar 2
AL - Albania 1
BG - Bulgaria 1
CG - Congo 1
DO - Repubblica Dominicana 1
EG - Egitto 1
ET - Etiopia 1
HR - Croazia 1
KH - Cambogia 1
KW - Kuwait 1
MD - Moldavia 1
ME - Montenegro 1
MK - Macedonia 1
MQ - Martinica 1
MT - Malta 1
NG - Nigeria 1
NZ - Nuova Zelanda 1
PS - Palestinian Territory 1
RO - Romania 1
SC - Seychelles 1
SN - Senegal 1
UY - Uruguay 1
ZM - Zambia 1
Totale 9.108
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Città #
Ashburn 502
Singapore 490
Dublin 348
San Jose 344
Santa Clara 297
Chandler 265
Beijing 261
Jacksonville 220
Hong Kong 201
Dallas 183
Ho Chi Minh City 143
Council Bluffs 134
Munich 130
Dearborn 116
Hanoi 114
New York 98
Nanjing 92
Boardman 84
Parma 83
Johannesburg 79
Helsinki 78
Los Angeles 76
Izmir 74
Princeton 65
San Mateo 60
Lauterbourg 58
Shanghai 57
Bremen 52
Ann Arbor 48
Hefei 47
Wilmington 44
Toronto 43
Buffalo 36
Kunming 32
Chicago 31
São Paulo 31
Milan 27
Nanchang 25
Tokyo 22
Columbus 20
Da Nang 20
Jinan 20
Shenyang 20
Hebei 19
Moscow 19
Atlanta 16
Guangzhou 16
Turku 16
Jiaxing 14
Leawood 14
Rome 14
Des Moines 13
Baghdad 12
Haiphong 12
Hangzhou 12
The Dalles 12
Tianjin 12
Brussels 11
Changsha 11
London 11
Phoenix 11
Seoul 11
Valsamoggia 10
Boston 9
Brno 9
Brooklyn 9
Frankfurt am Main 9
Montreal 9
Seattle 9
Abidjan 8
Charlotte 8
Hải Dương 8
Nuremberg 8
Orem 8
San Francisco 8
Stockholm 8
Vienna 8
Biên Hòa 7
Campinas 7
Guayaquil 7
Norwalk 7
Warsaw 7
Woodbridge 7
Bologna 6
Brasília 6
Curitiba 6
Dhaka 6
Houston 6
Marseille 6
Mumbai 6
Rio de Janeiro 6
Istanbul 5
Ottawa 5
Pittsburgh 5
Ronneby 5
San José 5
Turin 5
Venice 5
Asunción 4
Bari 4
Totale 5.687
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Nome #
Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore 243
Ligand migration in non symbiotic hemoglobin AHb1 from Arabidopsis thaliana 236
Pyridoxal 5’-Phosphate-Dependent Enzymes: Catalysis, Conformation and Genomics 192
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin 185
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 181
Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin 174
Geminate rebinding in R state hemoglobin: kinetic and computational evidence for multiple hydrophobic pockets 174
Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit 168
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by Saturation Transfer Difference-NMR 167
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 165
The Reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is Controlled by the Distal HisE7 and Internal Hydrophobic Cavities 159
Expanding the chemical space of human serine racemase inhibitors 156
A fast empirical scoring method for docking and virtual screening 155
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. 153
Time-resolved X-ray solution scattering unveils the events leading to hemoglobin heme capture by staphylococcal IsdB 152
First-in-class inhibitors of SbnA reduce siderophore production in Staphylococcus aureus 145
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 144
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex 142
Energy-based code for preferential amino acid-base recognition 141
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb1 from Arabidopsis thaliana 141
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)] 139
The multifaceted pyridoxal 5’-phosphate-dependent O-acetylserine sulfhydrylase 137
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 136
Energy-based prediction of amino acid-nucleotide base recognition 135
Understanding iron hijacking by Staphylococcus aureus: a structural and mechanistic insight into the interaction of IsdB hemophore with human hemoglobin 134
Docking and Scoring in Drug Discovery 131
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes 131
Evaluating docking methods with a hydropathic scoring function 130
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana 128
Energetics of the protein-DNA-water interaction 127
Mapping the Energetics of Water-Protein and Water-Ligand Interactions with the "Natural" HINT Forcefield: Predictive Tools for Characterizing the Roles of Water in Biomolecules 124
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis. 124
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif 124
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target 123
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 121
Computational study of the role of bridging water molecules in the energetics of protein-ligand binding 118
Correct protonation states and relevant waters = better computational simulations? 118
Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport. 116
Current Topics in Medicinal Chemistry 116
Robust classification of "Relevant" water molecules in putative protein binding sites 114
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm 114
Fine tuning of the active site modulates in the interaction of O-acetylserine sulfhydryase isozymes with serine acetyl transferase 113
From LogP to computational titration: using a natural force field to predict binding affinity of protein-ligand complexes 112
Structural insights into the interaction of O-acetylserine sulfhydrylase with peptides: lessons from STD-NMR 112
Protein flexibility and ligand binding: dynamics of cellular retinol binding-protein types I and II 112
Ligand migration through the internal hydrophobic cavities in human neuroglobin 108
Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling 107
Understanding protein-ligand interactions and binding free energy with an empirical solvation-based model 107
Oxygen and Nitric Oxide Rebinding Kinetics in Nonsymbiotic Hemoglobin AHb1 from Arabidopsis thaliana 107
Simple, Intuitive Calculations of Free Energy of Binding for Protein-Ligand Complexes. 3. Including the Free Energy Contribution of Structural Water Molecules 105
Serine racemase: a key player in neuron activity and in neuropathologies 105
Water: how to evaluate its contribution in protein-ligand interactions 102
Molecular Dynamics: a tool to understand nuclear receptors 102
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 99
Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces 99
Structural data: the basis for molecular modelling” Practice III.1, Chapter III Molecular Modeling. 98
The consequences of scoring docked ligand conformations using free energy correlations 97
FADB: a food additive molecular database for in silico screening in food toxicology. 96
Target flexibility: an emerging consideration in drug discovery and design 94
Ligand migration and hexacoordination in type 1 non symbiotic rice hemoglobin 93
Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulations 92
Scoring functions for virtual screening 91
How Protein Flexibility Can Influence Docking/Scoring Simulations 90
Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathemathics: Tools for QSAR and In Silico Screening based on the Hydrophobicity of Small Molecules 90
The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery 88
Getting it right. Modeling of pH, Solvent and “Nearly” Everything Else in Virtual Screening of Biological Targets 86
Hydrophobicity in drug design, Practice I.12, Chapter I, Physicochemical Properties. 85
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers 85
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities? 83
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility 82
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 78
Thermodynamics of ligand binding to cellular retinol-binding protein type I and II 77
Theoretical calculations of the catalytic triad in short chain alcohol dehydrogenases/reductases 77
Exploring IsdB/hemoglobin complex to develop new antimicrobial strategies against Staphylococcus aureus 52
Two birds with one stone: An antibiotic hit blocking Staphylococcus aureus heme uptake with serendipitous hemoglobin left-shifting activity 33
null 29
Targeting ALDH7A1 with covalent inhibitors reveals new chemical space for prostate cancer therapy 15
Totale 9.214
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Categoria #
all - tutte 32.460
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 32.460
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/2022288 0 0 0 14 3 3 43 42 18 31 32 102
2022/20231.179 130 126 80 71 108 147 16 53 417 4 23 4
2023/2024486 17 33 20 11 25 139 38 52 11 27 39 74
2024/20251.701 41 81 125 72 185 270 92 80 185 147 139 284
2025/20263.551 390 308 466 300 476 143 434 112 383 212 151 176
2026/2027216 81 135 0 0 0 0 0 0 0 0 0 0
Totale 9.214