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MAGISTRATO, ALESSANDRA
 Distribuzione geografica
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Continente #
EU - Europa 7.246
NA - Nord America 5.366
AS - Asia 2.572
SA - Sud America 210
Continente sconosciuto - Info sul continente non disponibili 33
AF - Africa 14
OC - Oceania 8
Totale 15.449
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Nazione #
US - Stati Uniti d'America 5.214
RU - Federazione Russa 2.770
SE - Svezia 1.116
IE - Irlanda 957
IT - Italia 944
CN - Cina 943
SG - Singapore 764
UA - Ucraina 444
HK - Hong Kong 373
TR - Turchia 313
DE - Germania 256
GB - Regno Unito 240
BR - Brasile 184
FI - Finlandia 151
CA - Canada 140
FR - Francia 108
BE - Belgio 48
AT - Austria 42
CH - Svizzera 40
NL - Olanda 40
VN - Vietnam 39
EU - Europa 33
GR - Grecia 23
IN - India 23
MY - Malesia 21
LB - Libano 17
PL - Polonia 17
UZ - Uzbekistan 13
JP - Giappone 12
SI - Slovenia 11
VE - Venezuela 10
AR - Argentina 8
MX - Messico 8
AU - Australia 6
CZ - Repubblica Ceca 6
ES - Italia 6
IR - Iran 6
BD - Bangladesh 5
RO - Romania 5
SA - Arabia Saudita 5
AM - Armenia 4
DK - Danimarca 4
KR - Corea 4
PK - Pakistan 4
PY - Paraguay 4
AE - Emirati Arabi Uniti 3
AL - Albania 3
EG - Egitto 3
HU - Ungheria 3
IQ - Iraq 3
TH - Thailandia 3
BG - Bulgaria 2
CO - Colombia 2
GE - Georgia 2
ID - Indonesia 2
JO - Giordania 2
KE - Kenya 2
MA - Marocco 2
MD - Moldavia 2
MN - Mongolia 2
NO - Norvegia 2
NP - Nepal 2
NZ - Nuova Zelanda 2
TN - Tunisia 2
ZA - Sudafrica 2
BT - Bhutan 1
BY - Bielorussia 1
CR - Costa Rica 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
EC - Ecuador 1
EE - Estonia 1
GA - Gabon 1
HR - Croazia 1
JM - Giamaica 1
KH - Cambogia 1
KW - Kuwait 1
LU - Lussemburgo 1
NG - Nigeria 1
OM - Oman 1
PA - Panama 1
PE - Perù 1
PH - Filippine 1
PS - Palestinian Territory 1
PT - Portogallo 1
RS - Serbia 1
TW - Taiwan 1
Totale 15.449
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Città #
Chandler 1.064
Dublin 957
Jacksonville 544
Moscow 430
Ann Arbor 365
Hong Kong 365
Scuola 359
Boardman 335
Singapore 286
Ashburn 257
Wilmington 217
Saint Petersburg 212
New York 211
Nanjing 192
Izmir 187
Woodbridge 173
Santa Clara 149
Shanghai 134
Toronto 132
Princeton 128
Trieste 128
The Dalles 124
Istanbul 115
Pisa 110
Council Bluffs 106
Helsinki 91
Ogden 90
Beijing 85
Nanchang 85
Dearborn 67
Brooklyn 61
Houston 52
Brussels 48
Milan 47
Washington 39
Dong Ket 36
Hebei 35
Tianjin 35
Kunming 32
Seattle 28
Falls Church 26
Sauris 24
Yubileyny 24
Hangzhou 23
Guangzhou 22
Torino 22
Shenyang 21
Lausanne 19
Orange 18
São Paulo 17
Vienna 17
Rome 16
Redmond 15
Verona 15
Nuremberg 14
Jiaxing 13
Jinan 13
Changchun 12
Chicago 12
Las Vegas 12
Paris 12
Strasbourg 12
Amsterdam 11
Changsha 11
Lanzhou 11
Frankfurt Am Main 10
Hanover 9
Karlsruhe 9
Ningbo 9
Redwood City 9
Turin 9
Dongguan 8
Udine 8
Frankfurt am Main 7
Palermo 7
Zhengzhou 7
Candelo 6
Los Angeles 6
Bologna 5
Brasília 5
Genoa 5
Indiana 5
Kranj 5
Ljubljana 5
London 5
Munich 5
Naples 5
Norwalk 5
Rio de Janeiro 5
San Jose 5
São Bernardo do Campo 5
Walnut 5
Avignon 4
Belo Horizonte 4
Borås 4
Boydton 4
Des Moines 4
Fuzhou 4
Guarulhos 4
Hefei 4
Totale 8.729
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Nome #
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 223
Fighting cancer with transition metal complexes: from naked DNA to protein and chromatin targeting strategies 193
Development of Site-Specific Mg2+–RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations 193
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns 181
Classical and quantum chemical studies of copper phenanthroline complexes binding the DNA 181
Ionic charge transfer effects in water, channels and enzymes 179
Allosteric modulation of aromatase: a novel strategy for the next generation anti-cancer drugs 177
Anthrax Lethal Factor Investigated by Molecular Simulations 176
Parameterization of novel anticancer drugs via a QM/MM force matching procedure and effect of drug-binding on DNA flexibility 172
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 171
Ab initio molecular dynamics simulations of biologically relevant systems 170
Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics Simulations 168
QM/MM molecular dynamics studies of metal binding proteins 168
The molecular mechanism of secondary sodium symporters elucidated through the lens of the computational microscope 167
Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods 165
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa 163
Ru [(bpy) 2 (dppz)] 2+ and rh [(bpy) 2 (chrysi)] 3+ targeting double strand DNA: The shape of the intercalating ligand tunes the free energy landscape of deintercalation 162
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era 161
Computational Study of the DNA-Binding Protein Helicobacter pylori NikR: The Role of Ni2+ 157
Huntingtin: Stability and Interaction with Molecular Partner from Computational Biophysics Studies 157
QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidate common cleavage pathways to RNase H enzymes 156
A Computational Assay of Estrogen Receptor alpha Antagonists Reveals the Key Common Structural Traits of Drugs Effectively Fighting Refractory Breast Cancers 156
Nitrogen fixation by a biologically-inspired catalyst: An ab initio and hybrid qm/mm molecular dynamics study 156
Sodium-Galactose Transporter: first steps of transport mechanism investigated by molecular dynamics 156
Huntigton disease: Cooperative hydrogen bonding in polyQ aggregates 155
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations 155
Structural, dynamical and catalytic interplay between Mg2+ ions and RNA. Vices and virtues of atomistic simulations 154
Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance 154
‘Molecular Modeling of Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Hybrid QM/MM Molecular Dynamics Simulations’ 154
Understanding anticancer Drug-DNA interactions via molecular dynamics simulations 153
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations 153
Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila 152
Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase 151
Mechanism of proteolysis of anthrax lethal factor. An ab initio and hybrid QM/MM molecular dynamics study 151
Enantioselective palladium-catalyzed hydrosilylation of styrene: Detailed reaction mechanism from first-principles and hybrid QM/MM molecular dynamics simulations 149
Study of the structural and dynamical properties of a biomimetic compound of diiron proteins via ab initio and hybrid (QM/MM) molecular dynamics simulations. 148
Bioinorganic Chemistry of Parkinson's Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein 148
All-Atom Simulations Decrypt the Molecular Terms of RNA Catalysis in the Exon-Ligation Step of the Spliceosome 147
Common mechanistic features among metallo-beta-lactamases: a computational study of Aeromonas hydrophila CphA enzyme 146
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 144
Study of the structural and dynamical properties of a biomimetic compound of diiron proteins via ab initio and hybrid (QM/MM) molecular dynamics simulations. 143
Azole-bridged diplatinum anticancer drugs: Escaping repair mechanism and avoiding cross-resistance by modulating DNA-flexibility 142
Direct in silico visualization of ligands channelling through proteins: The next-generation frontier of computational biology 140
Interfacing Proteins with Graphitic Nanomaterials: from Spontaneous Attraction to Tailored Assemblies 138
Functionalized Fe‐Filled Multiwalled Carbon Nanotubes as Multifunctional Scaffolds for Magnetization of Cancer Cells’ 138
Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives 138
First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems 136
The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme. A Molecular Simulation Study 136
Enantioselective palladium-catalyzed hydrosilylation of styrene: Influence of electronic and steric effects on enantioselectivity and catalyst design via hybrid QM/MM molecular dynamics simulations 135
Anthramycin-DNA binding explored by molecular simulations 135
A density functional theory (DFT) study on gas-phase proton transfer reactions of derivatized and underivatized peptide ions generated by matrix-assisted laser desorption ionization 134
Interaction between the DNA model base 9-ethylguanine and a group of ruthenium polypyridyl complexes: Kinetics and conformational temperature dependence 133
Structural and Dynamical Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study 132
Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations 132
INOR 531-Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from QM/MM molecular dynamics simulations 130
Unusual Ar-H/Rh-H J(HH) NMR coupling in complexes of rhodium(III): experimental evidence and theoretical support for an eta1-arene structure 130
First-principles simulations of C-S bond cleavage in rhenium thioether complexes 129
Modeling anticancer drug-DNA interactions via mixed QM/MM molecular dynamics simulations 128
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations 126
Atomistic-level portrayal of drug-DNA interplay: A history of courtships and meetings revealed by molecular simulations 125
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome 124
The role of pi-pi, stacking interactions in square planar palladium complexes. Combined quantum mechanics/molecular mechanics QM/MM studie 122
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations 122
Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities? 121
Direct observation of an equilibrium between two anion-cation orientations in olefin Pt(II) complex ion pairs by HOESY NMR spectroscopy 121
Density functional theory studies on copper phenanthroline complexes 120
Detecting DNA Mismatches with Metallo-Insertors: A Molecular Simulation Study 119
Structural Properties of Polyglutamine Aggregates Investigated via Molecular Dynamics Simulations 119
Single or multiple access channels to the CYP450s active site? An answer from free energy simulations of the human aromatase enzyme 119
Exploiting Cryo-EM Structural Information and All-Atom Simulations to Decrypt the Molecular Mechanism of Splicing Modulators 119
On the active site of mononuclear B1 metallo β-lactamases: a computational study 118
Hydrogen Bonding Cooperativity in polyQ beta-Sheets from First Principle Calculations 118
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation 118
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design 117
Unraveling the molecular mechanisms of color expression in anthocyanins 117
Molecular mechanism of Huntinton’s disease : a computational perspective 116
Theoretical studies of the reductive C-S bond cleavage in complexes of the form [M(9S3)(2)](2+) (M = Re, Tc, and Ru; 9S3=1,4,7-trithiacyclononane) 114
Dialkyl effect on enantioselectivity: pi-stacking as a structural feature in P,N complexes of palladium(II) 114
Dissociation of minor groove binders from DNA: insights from metadynamics simulations 114
Structural and dynamical properties of monoclonal antibodies immobilized on CNTs: a molecular simulation study 114
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery? 114
Frontiers of metal-coordinating drug design 114
Three- and four-center trans effects in triply bonded ditungsten complexes: An ab initio molecular dynamics study of compounds with stoichiometry W2Cl4(NHEt)(2)(PMe3)(2) 113
Isolation of a Highly Persistent Diphosphanyl Radical: The Phosphorus Analogue of a Hydrazyl 113
Cis-trans isomerization in triply-bonded ditungsten complexes: A multitude of possible pathways 111
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure 110
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions 110
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations 110
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study 109
Disclosing the impact of carcinogenic SF3b mutations on pre-mRNA recognition via all-atom simulations 106
Discovery of a natural cyan blue: A unique food-sourced anthocyanin could replace synthetic brilliant blue 106
All-Atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner cyp450s 105
Copper-1,10-phenanthroline complexes binding to DNA: structural predictions from molecular simulations 105
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations 103
Metadynamics Simulations Reveal a Na+ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT 102
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme? 102
An Expanded Two-Zn2+-Ion Motif Orchestrates Pre-mRNA Maturation in the 3′-End Processing Endonuclease Machinery 102
Nitrogen fixation by a molybdenum catalyst mimicking the function of the nitrogenase enzyme: A critical evaluation of DFT and solvent effects 100
Decrypting the information exchange pathways across the spliceosome machinery 100
Unraveling the molecular mechanism of Pre-mRNA splicing from Multi-Scale simulations 96
Totale 13.699
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Categoria #
all - tutte 69.904
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 69.904
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020163 0 0 0 0 0 0 0 0 0 55 104 4
2020/20211.255 119 10 11 104 8 332 128 4 156 146 76 161
2021/20221.306 133 141 2 140 226 33 37 118 125 66 78 207
2022/20233.305 479 376 318 253 235 655 355 197 287 34 42 74
2023/20241.715 120 35 47 47 185 673 82 72 282 51 22 99
2024/20254.963 891 318 522 1.259 676 290 276 340 212 179 0 0
Totale 16.265