IRIS
SPYRAKIS, Francesca
 Distribuzione geografica
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Continente #
NA - Nord America 2.811
AS - Asia 2.206
EU - Europa 1.968
SA - Sud America 324
AF - Africa 104
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 7.418
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Nazione #
US - Stati Uniti d'America 2.729
CN - Cina 835
SG - Singapore 832
FI - Finlandia 383
IE - Irlanda 349
SE - Svezia 341
DE - Germania 301
BR - Brasile 258
IT - Italia 192
HK - Hong Kong 182
UA - Ucraina 156
VN - Vietnam 142
TR - Turchia 83
ZA - Sudafrica 81
NL - Olanda 76
CA - Canada 60
GB - Regno Unito 41
RU - Federazione Russa 37
BD - Bangladesh 22
FR - Francia 21
JP - Giappone 19
AR - Argentina 18
IN - India 16
IR - Iran 14
ID - Indonesia 13
BE - Belgio 12
MX - Messico 12
EC - Ecuador 11
VE - Venezuela 11
AT - Austria 10
CZ - Repubblica Ceca 10
IQ - Iraq 10
KR - Corea 10
CL - Cile 8
CO - Colombia 8
CI - Costa d'Avorio 7
LT - Lituania 7
PK - Pakistan 7
MA - Marocco 6
PL - Polonia 6
AE - Emirati Arabi Uniti 4
CH - Svizzera 4
ES - Italia 4
PE - Perù 4
PY - Paraguay 4
RS - Serbia 4
HU - Ungheria 3
JO - Giordania 3
KE - Kenya 3
TN - Tunisia 3
TW - Taiwan 3
AU - Australia 2
BY - Bielorussia 2
CR - Costa Rica 2
DZ - Algeria 2
EE - Estonia 2
EU - Europa 2
HN - Honduras 2
IL - Israele 2
JM - Giamaica 2
KZ - Kazakistan 2
LU - Lussemburgo 2
PA - Panama 2
UZ - Uzbekistan 2
AZ - Azerbaigian 1
BG - Bulgaria 1
BO - Bolivia 1
GT - Guatemala 1
KH - Cambogia 1
KW - Kuwait 1
LC - Santa Lucia 1
MD - Moldavia 1
MK - Macedonia 1
MT - Malta 1
NZ - Nuova Zelanda 1
PS - Palestinian Territory 1
QA - Qatar 1
RO - Romania 1
SN - Senegal 1
UY - Uruguay 1
ZM - Zambia 1
Totale 7.418
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Città #
Ashburn 447
Singapore 424
Dublin 348
Santa Clara 295
Chandler 265
Beijing 253
Jacksonville 220
Hong Kong 182
Dallas 177
Munich 130
Dearborn 116
Nanjing 91
Boardman 80
Helsinki 77
Parma 76
New York 75
Izmir 74
Johannesburg 72
Princeton 65
San Mateo 60
Ho Chi Minh City 59
Los Angeles 59
Shanghai 57
Bremen 52
Ann Arbor 48
Hefei 47
Wilmington 44
Toronto 41
Kunming 32
Hanoi 31
Chicago 28
São Paulo 28
Nanchang 25
Buffalo 23
Jinan 20
Shenyang 20
Columbus 19
Hebei 19
Moscow 19
Tokyo 17
Council Bluffs 16
Guangzhou 16
Milan 16
Turku 16
Jiaxing 14
Leawood 14
Des Moines 13
The Dalles 12
Brussels 11
Changsha 11
Hangzhou 11
Tianjin 11
Seoul 10
Boston 9
Brno 9
London 9
Phoenix 9
Seattle 9
Montreal 8
San Jose 8
Stockholm 8
Vienna 8
Abidjan 7
Atlanta 7
Brooklyn 7
Campinas 7
Norwalk 7
Nuremberg 7
Brasília 6
Curitiba 6
Guayaquil 6
Houston 6
Rome 6
San Francisco 6
Warsaw 6
Woodbridge 6
Baghdad 5
Charlotte 5
Dhaka 5
Frankfurt am Main 5
Haiphong 5
Marseille 5
Orem 5
Rio de Janeiro 5
Ronneby 5
Bari 4
Belo Horizonte 4
Biên Hòa 4
Chengdu 4
Da Nang 4
Erbil 4
Fuzhou 4
Istanbul 4
Mexico City 4
Mumbai 4
Ningbo 4
Ottawa 4
Redondo Beach 4
Secaucus 4
Suzhou 4
Totale 4.658
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Nome #
Ligand migration in non symbiotic hemoglobin AHb1 from Arabidopsis thaliana 222
Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore 208
Geminate rebinding in R state hemoglobin: kinetic and computational evidence for multiple hydrophobic pockets 153
Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit 152
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 150
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin 148
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by Saturation Transfer Difference-NMR 143
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 142
Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin 134
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. 133
A fast empirical scoring method for docking and virtual screening 130
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex 126
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)] 123
Expanding the chemical space of human serine racemase inhibitors 121
Evaluating docking methods with a hydropathic scoring function 120
Energy-based prediction of amino acid-nucleotide base recognition 120
The Reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is Controlled by the Distal HisE7 and Internal Hydrophobic Cavities 119
Energy-based code for preferential amino acid-base recognition 119
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb1 from Arabidopsis thaliana 118
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif 111
Docking and Scoring in Drug Discovery 110
Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target 110
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 109
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes 109
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 109
Computational study of the role of bridging water molecules in the energetics of protein-ligand binding 108
Energetics of the protein-DNA-water interaction 107
Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport. 104
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 104
Correct protonation states and relevant waters = better computational simulations? 104
The multifaceted pyridoxal 5’-phosphate-dependent O-acetylserine sulfhydrylase 103
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana 100
First-in-class inhibitors of SbnA reduce siderophore production in Staphylococcus aureus 99
Current Topics in Medicinal Chemistry 99
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis. 99
Robust classification of "Relevant" water molecules in putative protein binding sites 98
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm 98
Fine tuning of the active site modulates in the interaction of O-acetylserine sulfhydryase isozymes with serine acetyl transferase 98
Understanding protein-ligand interactions and binding free energy with an empirical solvation-based model 98
Structural insights into the interaction of O-acetylserine sulfhydrylase with peptides: lessons from STD-NMR 98
From LogP to computational titration: using a natural force field to predict binding affinity of protein-ligand complexes 97
Understanding iron hijacking by Staphylococcus aureus: a structural and mechanistic insight into the interaction of IsdB hemophore with human hemoglobin 96
Ligand migration through the internal hydrophobic cavities in human neuroglobin 92
Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling 90
Time-resolved X-ray solution scattering unveils the events leading to hemoglobin heme capture by staphylococcal IsdB 89
The consequences of scoring docked ligand conformations using free energy correlations 89
Oxygen and Nitric Oxide Rebinding Kinetics in Nonsymbiotic Hemoglobin AHb1 from Arabidopsis thaliana 89
Water: how to evaluate its contribution in protein-ligand interactions 88
Pyridoxal 5’-Phosphate-Dependent Enzymes: Catalysis, Conformation and Genomics 88
Serine racemase: a key player in neuron activity and in neuropathologies 88
Molecular Dynamics: a tool to understand nuclear receptors 87
Structural data: the basis for molecular modelling” Practice III.1, Chapter III Molecular Modeling. 85
Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces 84
Protein flexibility and ligand binding: dynamics of cellular retinol binding-protein types I and II 84
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 82
Ligand migration and hexacoordination in type 1 non symbiotic rice hemoglobin 82
Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathemathics: Tools for QSAR and In Silico Screening based on the Hydrophobicity of Small Molecules 80
Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulations 78
Scoring functions for virtual screening 76
Simple, Intuitive Calculations of Free Energy of Binding for Protein-Ligand Complexes. 3. Including the Free Energy Contribution of Structural Water Molecules 76
Target flexibility: an emerging consideration in drug discovery and design 76
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 75
FADB: a food additive molecular database for in silico screening in food toxicology. 74
Getting it right. Modeling of pH, Solvent and “Nearly” Everything Else in Virtual Screening of Biological Targets 72
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 72
Thermodynamics of ligand binding to cellular retinol-binding protein type I and II 71
The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery 71
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility 70
Hydrophobicity in drug design, Practice I.12, Chapter I, Physicochemical Properties. 69
Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities? 68
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers 67
How Protein Flexibility Can Influence Docking/Scoring Simulations 64
Theoretical calculations of the catalytic triad in short chain alcohol dehydrogenases/reductases 64
null 29
Totale 7.518
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Categoria #
all - tutte 27.145
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 27.145
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021216 0 0 0 0 0 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
2024/20251.701 41 81 125 72 185 270 92 80 185 147 139 284
2025/20262.071 390 308 466 300 476 131 0 0 0 0 0 0
Totale 7.518