IRIS
SPYRAKIS, Francesca
 Distribuzione geografica
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Continente #
NA - Nord America 3.359
AS - Asia 2.848
EU - Europa 2.119
SA - Sud America 361
AF - Africa 120
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 8.812
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Nazione #
US - Stati Uniti d'America 3.262
SG - Singapore 958
CN - Cina 887
VN - Vietnam 432
FI - Finlandia 384
IE - Irlanda 349
SE - Svezia 341
DE - Germania 307
BR - Brasile 278
IT - Italia 251
HK - Hong Kong 207
UA - Ucraina 157
ZA - Sudafrica 89
TR - Turchia 88
BD - Bangladesh 86
FR - Francia 84
NL - Olanda 78
CA - Canada 68
GB - Regno Unito 46
RU - Federazione Russa 37
IN - India 26
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
LT - Lituania 7
MA - Marocco 7
PL - Polonia 7
TH - Thailandia 7
CH - Svizzera 5
PE - Perù 5
PY - Paraguay 5
TW - Taiwan 5
AE - Emirati Arabi Uniti 4
CR - Costa Rica 4
KE - Kenya 4
RS - Serbia 4
TN - Tunisia 4
UZ - Uzbekistan 4
HU - Ungheria 3
IL - Israele 3
JO - Giordania 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
JM - Giamaica 2
KZ - Kazakistan 2
LU - Lussemburgo 2
PA - Panama 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
LC - Santa Lucia 1
MD - Moldavia 1
ME - Montenegro 1
MK - Macedonia 1
MT - Malta 1
NG - Nigeria 1
NZ - Nuova Zelanda 1
PS - Palestinian Territory 1
PT - Portogallo 1
RO - Romania 1
SN - Senegal 1
UY - Uruguay 1
ZM - Zambia 1
Totale 8.812
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Città #
Ashburn 491
Singapore 486
Dublin 348
San Jose 344
Santa Clara 297
Chandler 265
Beijing 255
Jacksonville 220
Hong Kong 195
Dallas 181
Ho Chi Minh City 143
Munich 130
Dearborn 116
Hanoi 114
New York 97
Nanjing 92
Boardman 84
Johannesburg 79
Parma 79
Helsinki 78
Los Angeles 75
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
Nanchang 25
Tokyo 22
Columbus 20
Da Nang 20
Jinan 20
Milan 20
Shenyang 20
Council Bluffs 19
Hebei 19
Moscow 19
Guangzhou 16
Turku 16
Jiaxing 14
Leawood 14
Des Moines 13
Baghdad 12
Haiphong 12
Hangzhou 12
Rome 12
The Dalles 12
Tianjin 12
Atlanta 11
Brussels 11
Changsha 11
London 11
Phoenix 11
Seoul 11
Boston 9
Brno 9
Frankfurt am Main 9
Montreal 9
Seattle 9
Abidjan 8
Brooklyn 8
Hải Dương 8
Nuremberg 8
Orem 8
Stockholm 8
Vienna 8
Biên Hòa 7
Campinas 7
Charlotte 7
Guayaquil 7
Norwalk 7
Warsaw 7
Bologna 6
Brasília 6
Curitiba 6
Dhaka 6
Houston 6
Marseille 6
Rio de Janeiro 6
San Francisco 6
Woodbridge 6
Istanbul 5
Mumbai 5
Ottawa 5
Pittsburgh 5
Ronneby 5
Turin 5
Venice 5
Asunción 4
Bari 4
Belo Horizonte 4
Chengdu 4
Totale 5.510
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Nome #
Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore 240
Ligand migration in non symbiotic hemoglobin AHb1 from Arabidopsis thaliana 234
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin 184
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 177
Geminate rebinding in R state hemoglobin: kinetic and computational evidence for multiple hydrophobic pockets 172
Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin 168
Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit 167
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by Saturation Transfer Difference-NMR 166
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 164
The Reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is Controlled by the Distal HisE7 and Internal Hydrophobic Cavities 156
Expanding the chemical space of human serine racemase inhibitors 155
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. 150
A fast empirical scoring method for docking and virtual screening 149
Time-resolved X-ray solution scattering unveils the events leading to hemoglobin heme capture by staphylococcal IsdB 145
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 142
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex 140
Energy-based code for preferential amino acid-base recognition 139
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb1 from Arabidopsis thaliana 139
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)] 137
The multifaceted pyridoxal 5’-phosphate-dependent O-acetylserine sulfhydrylase 136
First-in-class inhibitors of SbnA reduce siderophore production in Staphylococcus aureus 135
Energy-based prediction of amino acid-nucleotide base recognition 134
Understanding iron hijacking by Staphylococcus aureus: a structural and mechanistic insight into the interaction of IsdB hemophore with human hemoglobin 131
Docking and Scoring in Drug Discovery 129
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes 129
Evaluating docking methods with a hydropathic scoring function 129
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 129
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana 127
Energetics of the protein-DNA-water interaction 126
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 123
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis. 122
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif 122
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target 121
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 119
Computational study of the role of bridging water molecules in the energetics of protein-ligand binding 117
Correct protonation states and relevant waters = better computational simulations? 117
Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport. 114
Current Topics in Medicinal Chemistry 112
Fine tuning of the active site modulates in the interaction of O-acetylserine sulfhydryase isozymes with serine acetyl transferase 112
Robust classification of "Relevant" water molecules in putative protein binding sites 111
Protein flexibility and ligand binding: dynamics of cellular retinol binding-protein types I and II 111
From LogP to computational titration: using a natural force field to predict binding affinity of protein-ligand complexes 110
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm 110
Pyridoxal 5’-Phosphate-Dependent Enzymes: Catalysis, Conformation and Genomics 109
Understanding protein-ligand interactions and binding free energy with an empirical solvation-based model 106
Structural insights into the interaction of O-acetylserine sulfhydrylase with peptides: lessons from STD-NMR 105
Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling 104
Serine racemase: a key player in neuron activity and in neuropathologies 104
Ligand migration through the internal hydrophobic cavities in human neuroglobin 102
Simple, Intuitive Calculations of Free Energy of Binding for Protein-Ligand Complexes. 3. Including the Free Energy Contribution of Structural Water Molecules 102
Oxygen and Nitric Oxide Rebinding Kinetics in Nonsymbiotic Hemoglobin AHb1 from Arabidopsis thaliana 102
Molecular Dynamics: a tool to understand nuclear receptors 100
Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces 98
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 97
Water: how to evaluate its contribution in protein-ligand interactions 97
The consequences of scoring docked ligand conformations using free energy correlations 96
Structural data: the basis for molecular modelling” Practice III.1, Chapter III Molecular Modeling. 96
FADB: a food additive molecular database for in silico screening in food toxicology. 94
Target flexibility: an emerging consideration in drug discovery and design 93
Ligand migration and hexacoordination in type 1 non symbiotic rice hemoglobin 92
Scoring functions for virtual screening 90
Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulations 88
Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathemathics: Tools for QSAR and In Silico Screening based on the Hydrophobicity of Small Molecules 88
The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery 87
How Protein Flexibility Can Influence Docking/Scoring Simulations 85
Getting it right. Modeling of pH, Solvent and “Nearly” Everything Else in Virtual Screening of Biological Targets 85
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers 84
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility 81
Hydrophobicity in drug design, Practice I.12, Chapter I, Physicochemical Properties. 81
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities? 79
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 77
Thermodynamics of ligand binding to cellular retinol-binding protein type I and II 76
Theoretical calculations of the catalytic triad in short chain alcohol dehydrogenases/reductases 76
Exploring IsdB/hemoglobin complex to develop new antimicrobial strategies against Staphylococcus aureus 45
null 29
Two birds with one stone: An antibiotic hit blocking Staphylococcus aureus heme uptake with serendipitous hemoglobin left-shifting activity 18
Totale 8.916
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Categoria #
all - tutte 30.792
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 30.792
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20212 0 0 0 0 0 0 0 0 0 0 0 2
2021/2022294 6 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
2025/20263.469 390 308 466 300 476 143 434 112 383 212 151 94
Totale 8.916