IRIS
SPYRAKIS, Francesca
 Distribuzione geografica
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Continente #
NA - Nord America 1.997
EU - Europa 1.812
AS - Asia 1.022
SA - Sud America 76
AF - Africa 14
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 4.926
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Nazione #
US - Stati Uniti d'America 1.949
CN - Cina 578
FI - Finlandia 367
IE - Irlanda 348
SE - Svezia 328
SG - Singapore 326
DE - Germania 266
IT - Italia 166
UA - Ucraina 153
TR - Turchia 79
NL - Olanda 76
BR - Brasile 72
CA - Canada 45
GB - Regno Unito 24
RU - Federazione Russa 21
IR - Iran 14
FR - Francia 13
BE - Belgio 12
CZ - Repubblica Ceca 10
AT - Austria 9
CI - Costa d'Avorio 7
JP - Giappone 6
ID - Indonesia 4
IQ - Iraq 4
RS - Serbia 4
BD - Bangladesh 3
LT - Lituania 3
ZA - Sudafrica 3
AU - Australia 2
CH - Svizzera 2
EE - Estonia 2
EU - Europa 2
HU - Ungheria 2
IN - India 2
JO - Giordania 2
LU - Lussemburgo 2
MA - Marocco 2
PK - Pakistan 2
VE - Venezuela 2
AZ - Azerbaigian 1
BY - Bielorussia 1
CR - Costa Rica 1
DZ - Algeria 1
EC - Ecuador 1
KE - Kenya 1
MK - Macedonia 1
MT - Malta 1
MX - Messico 1
NZ - Nuova Zelanda 1
PA - Panama 1
PE - Perù 1
RO - Romania 1
TW - Taiwan 1
Totale 4.926
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Città #
Dublin 347
Santa Clara 287
Chandler 265
Jacksonville 219
Singapore 205
Ashburn 172
Beijing 153
Dearborn 116
Munich 98
Nanjing 91
Boardman 80
Helsinki 77
Izmir 74
Parma 69
Princeton 65
San Mateo 60
Shanghai 56
Bremen 52
New York 50
Ann Arbor 48
Wilmington 44
Toronto 37
Kunming 32
Chicago 26
Nanchang 25
Hefei 22
Shenyang 20
Hebei 19
Jinan 19
Moscow 17
Council Bluffs 16
Los Angeles 15
Milan 15
Jiaxing 14
Leawood 14
Des Moines 13
Guangzhou 13
Brussels 11
Hangzhou 10
Brno 9
Changsha 9
Seattle 8
Vienna 8
Abidjan 7
Norwalk 7
Tianjin 7
Woodbridge 6
London 5
Marseille 5
Nuremberg 5
São Paulo 5
Bari 4
Chengdu 4
Frankfurt am Main 4
Fuzhou 4
Istanbul 4
Ningbo 4
Ottawa 4
Taizhou 4
Tokyo 4
Valsamoggia 4
Venice 4
Viano 4
Zhengzhou 4
Ardabil 3
Bologna 3
Cuiabá 3
Dallas 3
Düsseldorf 3
Falls Church 3
Houston 3
Jyväskylä 3
Modena 3
Phoenix 3
Piacenza 3
Tabriz 3
Taiyuan 3
Turin 3
Yinchuan 3
Zanjan 3
Amman 2
Ammerbuch 2
Augusta 2
Baghdad 2
Bagnolet 2
Basel 2
Borås 2
Campinas 2
Cornaredo 2
Curitiba 2
Erbil 2
Formigine 2
Haikou 2
Lages 2
Lanzhou 2
Lund 2
Luxembourg 2
Miami 2
Monmouth Junction 2
Osaka 2
Totale 3.187
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Nome #
Ligand migration in non symbiotic hemoglobin AHb1 from Arabidopsis thaliana 206
Geminate rebinding in R state hemoglobin: kinetic and computational evidence for multiple hydrophobic pockets 128
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 101
Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore 99
Evaluating docking methods with a hydropathic scoring function 98
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 97
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex 96
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin 94
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)] 92
Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit 89
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by Saturation Transfer Difference-NMR 88
The Reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is Controlled by the Distal HisE7 and Internal Hydrophobic Cavities 87
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb1 from Arabidopsis thaliana 86
Energy-based code for preferential amino acid-base recognition 85
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. 83
Expanding the chemical space of human serine racemase inhibitors 83
Energetics of the protein-DNA-water interaction 80
From LogP to computational titration: using a natural force field to predict binding affinity of protein-ligand complexes 79
A fast empirical scoring method for docking and virtual screening 78
Energy-based prediction of amino acid-nucleotide base recognition 76
Pyridoxal 5’-Phosphate-Dependent Enzymes: Catalysis, Conformation and Genomics 74
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes 74
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif 74
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana 74
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm 73
Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin 72
Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport. 72
Robust classification of "Relevant" water molecules in putative protein binding sites 71
The multifaceted pyridoxal 5’-phosphate-dependent O-acetylserine sulfhydrylase 71
Computational study of the role of bridging water molecules in the energetics of protein-ligand binding 71
Ligand migration through the internal hydrophobic cavities in human neuroglobin 70
Current Topics in Medicinal Chemistry 69
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target 69
The consequences of scoring docked ligand conformations using free energy correlations 68
Understanding protein-ligand interactions and binding free energy with an empirical solvation-based model 68
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 68
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis. 67
Ligand migration and hexacoordination in type 1 non symbiotic rice hemoglobin 66
Docking and Scoring in Drug Discovery 66
Fine tuning of the active site modulates in the interaction of O-acetylserine sulfhydryase isozymes with serine acetyl transferase 65
Correct protonation states and relevant waters = better computational simulations? 65
Serine racemase: a key player in neuron activity and in neuropathologies 63
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 62
Water: how to evaluate its contribution in protein-ligand interactions 62
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 62
Molecular Dynamics: a tool to understand nuclear receptors 61
Protein flexibility and ligand binding: dynamics of cellular retinol binding-protein types I and II 61
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 60
Structural data: the basis for molecular modelling” Practice III.1, Chapter III Molecular Modeling. 60
Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathemathics: Tools for QSAR and In Silico Screening based on the Hydrophobicity of Small Molecules 60
Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling 58
Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces 58
Structural insights into the interaction of O-acetylserine sulfhydrylase with peptides: lessons from STD-NMR 58
Oxygen and Nitric Oxide Rebinding Kinetics in Nonsymbiotic Hemoglobin AHb1 from Arabidopsis thaliana 58
Scoring functions for virtual screening 57
Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulations 57
Hydrophobicity in drug design, Practice I.12, Chapter I, Physicochemical Properties. 56
Simple, Intuitive Calculations of Free Energy of Binding for Protein-Ligand Complexes. 3. Including the Free Energy Contribution of Structural Water Molecules 55
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities? 51
Theoretical calculations of the catalytic triad in short chain alcohol dehydrogenases/reductases 51
FADB: a food additive molecular database for in silico screening in food toxicology. 50
Getting it right. Modeling of pH, Solvent and “Nearly” Everything Else in Virtual Screening of Biological Targets 50
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility 49
Target flexibility: an emerging consideration in drug discovery and design 49
The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery 48
Thermodynamics of ligand binding to cellular retinol-binding protein type I and II 47
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers 46
Understanding iron hijacking by Staphylococcus aureus: a structural and mechanistic insight into the interaction of IsdB hemophore with human hemoglobin 44
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 42
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 40
null 29
How Protein Flexibility Can Influence Docking/Scoring Simulations 28
Totale 5.024
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Categoria #
all - tutte 20.097
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 20.097
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202069 0 0 0 0 0 0 0 0 0 0 15 54
2020/2021330 1 42 26 0 45 3 45 3 90 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
2024/20251.278 41 81 125 72 185 270 92 80 185 147 0 0
Totale 5.024