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MAGISTRATO, ALESSANDRA
 Distribuzione geografica
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Continente #
EU - Europa 7.080
NA - Nord America 5.077
AS - Asia 1.890
Continente sconosciuto - Info sul continente non disponibili 33
SA - Sud America 20
OC - Oceania 7
AF - Africa 2
Totale 14.109
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Nazione #
US - Stati Uniti d'America 4.937
RU - Federazione Russa 2.766
SE - Svezia 1.116
IE - Irlanda 956
IT - Italia 897
CN - Cina 757
SG - Singapore 517
UA - Ucraina 440
TR - Turchia 306
GB - Regno Unito 235
DE - Germania 232
HK - Hong Kong 161
CA - Canada 135
FI - Finlandia 131
FR - Francia 104
BE - Belgio 45
VN - Vietnam 39
CH - Svizzera 38
EU - Europa 33
NL - Olanda 24
GR - Grecia 22
MY - Malesia 21
IN - India 19
BR - Brasile 18
AT - Austria 17
LB - Libano 17
PL - Polonia 17
JP - Giappone 11
SI - Slovenia 11
UZ - Uzbekistan 11
CZ - Repubblica Ceca 6
ES - Italia 6
IR - Iran 6
AU - Australia 5
SA - Arabia Saudita 5
MX - Messico 4
RO - Romania 4
HU - Ungheria 3
TH - Thailandia 3
AM - Armenia 2
AR - Argentina 2
BG - Bulgaria 2
DK - Danimarca 2
GE - Georgia 2
KR - Corea 2
MD - Moldavia 2
MN - Mongolia 2
NZ - Nuova Zelanda 2
AE - Emirati Arabi Uniti 1
BD - Bangladesh 1
BT - Bhutan 1
CR - Costa Rica 1
EE - Estonia 1
HR - Croazia 1
ID - Indonesia 1
KE - Kenya 1
KW - Kuwait 1
LU - Lussemburgo 1
NG - Nigeria 1
NP - Nepal 1
PH - Filippine 1
PK - Pakistan 1
RS - Serbia 1
TW - Taiwan 1
Totale 14.109
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Città #
Chandler 1.064
Dublin 956
Jacksonville 544
Moscow 429
Ann Arbor 365
Scuola 359
Boardman 335
Ashburn 248
Singapore 233
Wilmington 217
Saint Petersburg 212
New York 211
Nanjing 192
Izmir 187
Woodbridge 173
Hong Kong 153
Santa Clara 149
Toronto 129
Princeton 128
Istanbul 114
Pisa 110
Trieste 106
Ogden 90
Nanchang 85
Beijing 84
Helsinki 74
Dearborn 67
Brooklyn 61
Houston 50
Brussels 45
Milan 44
Washington 39
Dong Ket 36
Hebei 35
Tianjin 34
Kunming 32
Seattle 28
Falls Church 26
Sauris 24
Yubileyny 24
Hangzhou 22
Torino 22
Lausanne 19
Shenyang 19
Orange 18
Redmond 15
Rome 15
Verona 15
Guangzhou 13
Jiaxing 13
Shanghai 13
Changchun 12
Chicago 12
Jinan 12
Las Vegas 12
Strasbourg 12
Amsterdam 11
Council Bluffs 11
Lanzhou 11
Frankfurt Am Main 10
Paris 10
Changsha 9
Hanover 9
Ningbo 9
Redwood City 9
Dongguan 8
Karlsruhe 8
Turin 8
Udine 8
São Paulo 7
Zhengzhou 7
Candelo 6
Palermo 6
Bologna 5
Frankfurt am Main 5
Genoa 5
Indiana 5
Kranj 5
Ljubljana 5
London 5
Los Angeles 5
Naples 5
Norwalk 5
San Jose 5
Vienna 5
Walnut 5
Avignon 4
Borås 4
Boydton 4
Des Moines 4
Hefei 4
Kilburn 4
Krakow 4
Leiden 4
Mumbai 4
Padova 4
Rende 4
Riyadh 4
San Francisco 4
Taizhou 4
Totale 8.004
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Nome #
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 204
Development of Site-Specific Mg2+–RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations 177
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns 171
Allosteric modulation of aromatase: a novel strategy for the next generation anti-cancer drugs 171
Ionic charge transfer effects in water, channels and enzymes 169
Anthrax Lethal Factor Investigated by Molecular Simulations 166
Fighting cancer with transition metal complexes: from naked DNA to protein and chromatin targeting strategies 165
Classical and quantum chemical studies of copper phenanthroline complexes binding the DNA 165
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 161
Ab initio molecular dynamics simulations of biologically relevant systems 159
Parameterization of novel anticancer drugs via a QM/MM force matching procedure and effect of drug-binding on DNA flexibility 159
Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics Simulations 158
The molecular mechanism of secondary sodium symporters elucidated through the lens of the computational microscope 156
QM/MM molecular dynamics studies of metal binding proteins 154
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa 153
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 152
QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidate common cleavage pathways to RNase H enzymes 150
Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods 150
A Computational Assay of Estrogen Receptor alpha Antagonists Reveals the Key Common Structural Traits of Drugs Effectively Fighting Refractory Breast Cancers 148
Computational Study of the DNA-Binding Protein Helicobacter pylori NikR: The Role of Ni2+ 145
Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila 145
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era 145
Huntingtin: Stability and Interaction with Molecular Partner from Computational Biophysics Studies 145
Structural, dynamical and catalytic interplay between Mg2+ ions and RNA. Vices and virtues of atomistic simulations 144
Understanding anticancer Drug-DNA interactions via molecular dynamics simulations 143
Huntigton disease: Cooperative hydrogen bonding in polyQ aggregates 143
Nitrogen fixation by a biologically-inspired catalyst: An ab initio and hybrid qm/mm molecular dynamics study 142
‘Molecular Modeling of Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Hybrid QM/MM Molecular Dynamics Simulations’ 142
Enantioselective palladium-catalyzed hydrosilylation of styrene: Detailed reaction mechanism from first-principles and hybrid QM/MM molecular dynamics simulations 141
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations 141
Sodium-Galactose Transporter: first steps of transport mechanism investigated by molecular dynamics 141
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations 141
Study of the structural and dynamical properties of a biomimetic compound of diiron proteins via ab initio and hybrid (QM/MM) molecular dynamics simulations. 139
Mechanism of proteolysis of anthrax lethal factor. An ab initio and hybrid QM/MM molecular dynamics study 139
All-Atom Simulations Decrypt the Molecular Terms of RNA Catalysis in the Exon-Ligation Step of the Spliceosome 136
Direct in silico visualization of ligands channelling through proteins: The next-generation frontier of computational biology 135
Study of the structural and dynamical properties of a biomimetic compound of diiron proteins via ab initio and hybrid (QM/MM) molecular dynamics simulations. 135
Bioinorganic Chemistry of Parkinson's Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein 134
Common mechanistic features among metallo-beta-lactamases: a computational study of Aeromonas hydrophila CphA enzyme 134
Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance 133
Functionalized Fe‐Filled Multiwalled Carbon Nanotubes as Multifunctional Scaffolds for Magnetization of Cancer Cells’ 133
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 133
First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems 132
Azole-bridged diplatinum anticancer drugs: Escaping repair mechanism and avoiding cross-resistance by modulating DNA-flexibility 130
Enantioselective palladium-catalyzed hydrosilylation of styrene: Influence of electronic and steric effects on enantioselectivity and catalyst design via hybrid QM/MM molecular dynamics simulations 127
Anthramycin-DNA binding explored by molecular simulations 126
Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives 126
The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme. A Molecular Simulation Study 125
Interaction between the DNA model base 9-ethylguanine and a group of ruthenium polypyridyl complexes: Kinetics and conformational temperature dependence 125
Interfacing Proteins with Graphitic Nanomaterials: from Spontaneous Attraction to Tailored Assemblies 125
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 124
INOR 531-Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from QM/MM molecular dynamics simulations 123
Modeling anticancer drug-DNA interactions via mixed QM/MM molecular dynamics simulations 122
Structural and Dynamical Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study 122
First-principles simulations of C-S bond cleavage in rhenium thioether complexes 121
Unusual Ar-H/Rh-H J(HH) NMR coupling in complexes of rhodium(III): experimental evidence and theoretical support for an eta1-arene structure 121
Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations 119
Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase 118
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations 117
Atomistic-level portrayal of drug-DNA interplay: A history of courtships and meetings revealed by molecular simulations 117
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome 117
Direct observation of an equilibrium between two anion-cation orientations in olefin Pt(II) complex ion pairs by HOESY NMR spectroscopy 116
Single or multiple access channels to the CYP450s active site? An answer from free energy simulations of the human aromatase enzyme 115
Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities? 113
Detecting DNA Mismatches with Metallo-Insertors: A Molecular Simulation Study 112
Exploiting Cryo-EM Structural Information and All-Atom Simulations to Decrypt the Molecular Mechanism of Splicing Modulators 112
On the active site of mononuclear B1 metallo β-lactamases: a computational study 111
Molecular mechanism of Huntinton’s disease : a computational perspective 111
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations 111
The role of pi-pi, stacking interactions in square planar palladium complexes. Combined quantum mechanics/molecular mechanics QM/MM studie 110
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) 109
Frontiers of metal-coordinating drug design 109
Unraveling the molecular mechanisms of color expression in anthocyanins 109
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design 108
Hydrogen Bonding Cooperativity in polyQ beta-Sheets from First Principle Calculations 108
Isolation of a Highly Persistent Diphosphanyl Radical: The Phosphorus Analogue of a Hydrazyl 107
Structural Properties of Polyglutamine Aggregates Investigated via Molecular Dynamics Simulations 107
Dialkyl effect on enantioselectivity: pi-stacking as a structural feature in P,N complexes of palladium(II) 106
Density functional theory studies on copper phenanthroline complexes 106
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations 106
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery? 105
Structural and dynamical properties of monoclonal antibodies immobilized on CNTs: a molecular simulation study 104
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) 103
Cis-trans isomerization in triply-bonded ditungsten complexes: A multitude of possible pathways 103
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation 103
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure 102
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions 101
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study 100
Dissociation of minor groove binders from DNA: insights from metadynamics simulations 100
All-Atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner cyp450s 99
Disclosing the impact of carcinogenic SF3b mutations on pre-mRNA recognition via all-atom simulations 98
Copper-1,10-phenanthroline complexes binding to DNA: structural predictions from molecular simulations 98
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations 95
Metadynamics Simulations Reveal a Na+ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT 94
Decrypting the information exchange pathways across the spliceosome machinery 94
Discovery of a natural cyan blue: A unique food-sourced anthocyanin could replace synthetic brilliant blue 91
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme? 90
An Expanded Two-Zn2+-Ion Motif Orchestrates Pre-mRNA Maturation in the 3′-End Processing Endonuclease Machinery 90
Nitrogen fixation by a molybdenum catalyst mimicking the function of the nitrogenase enzyme: A critical evaluation of DFT and solvent effects 89
Electronically and sterically induced structural distortions in square-planar d(8) complexes 87
Totale 12.666
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Categoria #
all - tutte 62.337
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 62.337
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020762 0 0 0 0 103 52 229 104 111 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
2024/20253.612 891 318 522 1.259 622 0 0 0 0 0 0 0
Totale 14.914