IRIS
SPYRAKIS, Francesca
 Distribuzione geografica
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Continente #
NA - Nord America 3.210
AS - Asia 2.777
EU - Europa 2.068
SA - Sud America 361
AF - Africa 120
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 8.541
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Nazione #
US - Stati Uniti d'America 3.120
SG - Singapore 952
CN - Cina 880
VN - Vietnam 432
FI - Finlandia 384
IE - Irlanda 349
SE - Svezia 341
DE - Germania 307
BR - Brasile 278
HK - Hong Kong 206
IT - Italia 202
UA - Ucraina 157
ZA - Sudafrica 89
TR - Turchia 88
FR - Francia 84
NL - Olanda 78
CA - Canada 62
GB - Regno Unito 45
RU - Federazione Russa 37
BD - Bangladesh 29
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
PE - Perù 5
PY - Paraguay 5
TW - Taiwan 5
AE - Emirati Arabi Uniti 4
CH - Svizzera 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
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
GT - Guatemala 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 8.541
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Città #
Singapore 485
Ashburn 476
Dublin 348
Santa Clara 296
San Jose 290
Chandler 265
Beijing 254
Jacksonville 220
Hong Kong 194
Dallas 178
Ho Chi Minh City 143
Munich 130
Dearborn 116
Hanoi 114
Nanjing 92
Boardman 80
Johannesburg 79
New York 79
Helsinki 78
Parma 76
Izmir 74
Los Angeles 69
Princeton 65
San Mateo 60
Lauterbourg 58
Shanghai 57
Bremen 52
Ann Arbor 48
Hefei 47
Wilmington 44
Toronto 42
Kunming 32
Buffalo 31
Chicago 31
São Paulo 31
Nanchang 25
Tokyo 22
Da Nang 20
Jinan 20
Shenyang 20
Columbus 19
Hebei 19
Moscow 19
Council Bluffs 18
Milan 18
Guangzhou 16
Turku 16
Jiaxing 14
Leawood 14
Des Moines 13
Baghdad 12
Haiphong 12
Hangzhou 12
The Dalles 12
Tianjin 12
Atlanta 11
Brussels 11
Changsha 11
Phoenix 11
Seoul 11
London 10
Boston 9
Brno 9
Frankfurt am Main 9
Montreal 9
Seattle 9
Abidjan 8
Hải Dương 8
Nuremberg 8
Orem 8
Stockholm 8
Vienna 8
Biên Hòa 7
Brooklyn 7
Campinas 7
Guayaquil 7
Norwalk 7
Warsaw 7
Brasília 6
Charlotte 6
Curitiba 6
Dhaka 6
Houston 6
Marseille 6
Rio de Janeiro 6
Rome 6
San Francisco 6
Woodbridge 6
Istanbul 5
Mumbai 5
Ronneby 5
Asunción 4
Bari 4
Belo Horizonte 4
Bologna 4
Chengdu 4
Erbil 4
Fuzhou 4
Manchester 4
Mexico City 4
Totale 5.378
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Nome #
Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore 237
Ligand migration in non symbiotic hemoglobin AHb1 from Arabidopsis thaliana 233
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 175
Geminate rebinding in R state hemoglobin: kinetic and computational evidence for multiple hydrophobic pockets 172
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin 170
Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit 166
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by Saturation Transfer Difference-NMR 166
Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin 165
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 163
Expanding the chemical space of human serine racemase inhibitors 150
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. 149
A fast empirical scoring method for docking and virtual screening 145
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
The Reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is Controlled by the Distal HisE7 and Internal Hydrophobic Cavities 136
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)] 136
Energy-based prediction of amino acid-nucleotide base recognition 132
Time-resolved X-ray solution scattering unveils the events leading to hemoglobin heme capture by staphylococcal IsdB 130
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 130
Docking and Scoring in Drug Discovery 128
Evaluating docking methods with a hydropathic scoring function 128
The multifaceted pyridoxal 5’-phosphate-dependent O-acetylserine sulfhydrylase 126
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes 125
Energetics of the protein-DNA-water interaction 123
Understanding iron hijacking by Staphylococcus aureus: a structural and mechanistic insight into the interaction of IsdB hemophore with human hemoglobin 121
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target 121
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif 120
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 119
First-in-class inhibitors of SbnA reduce siderophore production in Staphylococcus aureus 119
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana 119
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 117
Computational study of the role of bridging water molecules in the energetics of protein-ligand binding 116
Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport. 114
Correct protonation states and relevant waters = better computational simulations? 114
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis. 113
Fine tuning of the active site modulates in the interaction of O-acetylserine sulfhydryase isozymes with serine acetyl transferase 112
Current Topics in Medicinal Chemistry 111
Robust classification of "Relevant" water molecules in putative protein binding sites 110
From LogP to computational titration: using a natural force field to predict binding affinity of protein-ligand complexes 108
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm 108
Pyridoxal 5’-Phosphate-Dependent Enzymes: Catalysis, Conformation and Genomics 106
Understanding protein-ligand interactions and binding free energy with an empirical solvation-based model 105
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 101
Serine racemase: a key player in neuron activity and in neuropathologies 101
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 100
Ligand migration through the internal hydrophobic cavities in human neuroglobin 100
Molecular Dynamics: a tool to understand nuclear receptors 100
Oxygen and Nitric Oxide Rebinding Kinetics in Nonsymbiotic Hemoglobin AHb1 from Arabidopsis thaliana 99
Protein flexibility and ligand binding: dynamics of cellular retinol binding-protein types I and II 99
Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces 98
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
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 94
Target flexibility: an emerging consideration in drug discovery and design 93
Simple, Intuitive Calculations of Free Energy of Binding for Protein-Ligand Complexes. 3. Including the Free Energy Contribution of Structural Water Molecules 91
Ligand migration and hexacoordination in type 1 non symbiotic rice hemoglobin 91
Scoring functions for virtual screening 90
FADB: a food additive molecular database for in silico screening in food toxicology. 89
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 86
How Protein Flexibility Can Influence Docking/Scoring Simulations 83
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility 81
Getting it right. Modeling of pH, Solvent and “Nearly” Everything Else in Virtual Screening of Biological Targets 81
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers 81
Hydrophobicity in drug design, Practice I.12, Chapter I, Physicochemical Properties. 80
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 41
null 29
Totale 8.642
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Categoria #
all - tutte 29.077
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 29.077
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/202175 0 0 0 0 0 0 0 0 0 3 70 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
2025/20263.195 390 308 466 300 476 143 434 112 383 183 0 0
Totale 8.642