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MAGISTRATO, ALESSANDRA
 Distribuzione geografica
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Continente #
EU - Europa 4.864
NA - Nord America 4.582
AS - Asia 1.303
Continente sconosciuto - Info sul continente non disponibili 33
SA - Sud America 8
OC - Oceania 6
AF - Africa 2
Totale 10.798
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Nazione #
US - Stati Uniti d'America 4.444
SE - Svezia 1.116
IE - Irlanda 955
IT - Italia 857
CN - Cina 649
RU - Federazione Russa 624
UA - Ucraina 439
GB - Regno Unito 233
DE - Germania 228
TR - Turchia 192
SG - Singapore 160
HK - Hong Kong 158
CA - Canada 133
FI - Finlandia 126
FR - Francia 92
BE - Belgio 43
VN - Vietnam 39
CH - Svizzera 38
EU - Europa 33
NL - Olanda 24
GR - Grecia 22
MY - Malesia 21
IN - India 19
AT - Austria 17
LB - Libano 17
PL - Polonia 17
UZ - Uzbekistan 11
JP - Giappone 10
BR - Brasile 6
CZ - Repubblica Ceca 6
SI - Slovenia 6
ES - Italia 5
IR - Iran 5
SA - Arabia Saudita 5
AU - Australia 4
MX - Messico 4
RO - Romania 4
TH - Thailandia 3
AM - Armenia 2
AR - Argentina 2
BG - Bulgaria 2
DK - Danimarca 2
GE - Georgia 2
HU - Ungheria 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
PH - Filippine 1
RS - Serbia 1
Totale 10.798
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Città #
Chandler 1.064
Dublin 955
Jacksonville 544
Ann Arbor 365
Scuola 359
Ashburn 247
Wilmington 217
Saint Petersburg 212
New York 197
Nanjing 190
Izmir 187
Moscow 173
Woodbridge 173
Hong Kong 151
Princeton 128
Toronto 128
Pisa 109
Trieste 105
Ogden 90
Singapore 86
Nanchang 85
Beijing 80
Helsinki 69
Dearborn 67
Boardman 63
Brooklyn 61
Houston 50
Brussels 43
Milan 39
Washington 39
Dong Ket 36
Hebei 35
Tianjin 34
Kunming 32
Seattle 28
Falls Church 26
Sauris 24
Hangzhou 22
Torino 22
Lausanne 19
Shenyang 19
Orange 18
Redmond 15
Verona 15
Changchun 12
Chicago 12
Jinan 12
Las Vegas 12
Strasbourg 12
Amsterdam 11
Jiaxing 11
Lanzhou 11
Council Bluffs 10
Frankfurt Am Main 10
Rome 10
Hanover 9
Redwood City 9
Changsha 8
Karlsruhe 8
Ningbo 8
Turin 8
Udine 8
Dongguan 7
Shanghai 7
Zhengzhou 7
Candelo 6
Palermo 6
Bologna 5
Guangzhou 5
Indiana 5
Ljubljana 5
Norwalk 5
São Paulo 5
Vienna 5
Walnut 5
Avignon 4
Borås 4
Boydton 4
Des Moines 4
Frankfurt am Main 4
Hefei 4
Kilburn 4
Krakow 4
Leiden 4
London 4
Los Angeles 4
Mumbai 4
Naples 4
Padova 4
Rende 4
Riyadh 4
San Francisco 4
San Jose 4
Taizhou 4
Tokyo 4
Bangkok 3
Cosenza 3
Den Haag 3
Genoa 3
Hyderabad 3
Totale 6.970
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Nome #
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 151
Development of Site-Specific Mg2+–RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations 146
Allosteric modulation of aromatase: a novel strategy for the next generation anti-cancer drugs 137
Ionic charge transfer effects in water, channels and enzymes 135
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns 133
Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics Simulations 133
Classical and quantum chemical studies of copper phenanthroline complexes binding the DNA 133
Fighting cancer with transition metal complexes: from naked DNA to protein and chromatin targeting strategies 130
QM/MM molecular dynamics studies of metal binding proteins 128
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 128
Anthrax Lethal Factor Investigated by Molecular Simulations 127
Ab initio molecular dynamics simulations of biologically relevant systems 127
Parameterization of novel anticancer drugs via a QM/MM force matching procedure and effect of drug-binding on DNA flexibility 126
QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidate common cleavage pathways to RNase H enzymes 122
A Computational Assay of Estrogen Receptor alpha Antagonists Reveals the Key Common Structural Traits of Drugs Effectively Fighting Refractory Breast Cancers 122
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa 121
The molecular mechanism of secondary sodium symporters elucidated through the lens of the computational microscope 121
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 121
Study of the structural and dynamical properties of a biomimetic compound of diiron proteins via ab initio and hybrid (QM/MM) molecular dynamics simulations. 120
Understanding anticancer Drug-DNA interactions via molecular dynamics simulations 120
‘Molecular Modeling of Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Hybrid QM/MM Molecular Dynamics Simulations’ 120
Structural, dynamical and catalytic interplay between Mg2+ ions and RNA. Vices and virtues of atomistic simulations 119
Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods 119
Bioinorganic Chemistry of Parkinson's Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein 118
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations 118
Direct in silico visualization of ligands channelling through proteins: The next-generation frontier of computational biology 117
An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era 116
Computational Study of the DNA-Binding Protein Helicobacter pylori NikR: The Role of Ni2+ 115
Enantioselective palladium-catalyzed hydrosilylation of styrene: Detailed reaction mechanism from first-principles and hybrid QM/MM molecular dynamics simulations 115
Common mechanistic features among metallo-beta-lactamases: a computational study of Aeromonas hydrophila CphA enzyme 115
Study of the structural and dynamical properties of a biomimetic compound of diiron proteins via ab initio and hybrid (QM/MM) molecular dynamics simulations. 114
Sodium-Galactose Transporter: first steps of transport mechanism investigated by molecular dynamics 114
First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems 113
Mechanism of proteolysis of anthrax lethal factor. An ab initio and hybrid QM/MM molecular dynamics study 113
Huntigton disease: Cooperative hydrogen bonding in polyQ aggregates 113
Huntingtin: Stability and Interaction with Molecular Partner from Computational Biophysics Studies 112
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations 112
Nitrogen fixation by a biologically-inspired catalyst: An ab initio and hybrid qm/mm molecular dynamics study 111
Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila 109
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 109
Azole-bridged diplatinum anticancer drugs: Escaping repair mechanism and avoiding cross-resistance by modulating DNA-flexibility 108
Enantioselective palladium-catalyzed hydrosilylation of styrene: Influence of electronic and steric effects on enantioselectivity and catalyst design via hybrid QM/MM molecular dynamics simulations 107
Functionalized Fe‐Filled Multiwalled Carbon Nanotubes as Multifunctional Scaffolds for Magnetization of Cancer Cells’ 107
INOR 531-Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from QM/MM molecular dynamics simulations 105
Interfacing Proteins with Graphitic Nanomaterials: from Spontaneous Attraction to Tailored Assemblies 105
Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance 103
Direct observation of an equilibrium between two anion-cation orientations in olefin Pt(II) complex ion pairs by HOESY NMR spectroscopy 103
Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives 103
Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations 102
Interaction between the DNA model base 9-ethylguanine and a group of ruthenium polypyridyl complexes: Kinetics and conformational temperature dependence 101
Structural and Dynamical Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study 101
Anthramycin-DNA binding explored by molecular simulations 99
All-Atom Simulations Decrypt the Molecular Terms of RNA Catalysis in the Exon-Ligation Step of the Spliceosome 99
Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations 98
Modeling anticancer drug-DNA interactions via mixed QM/MM molecular dynamics simulations 97
First-principles simulations of C-S bond cleavage in rhenium thioether complexes 97
Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities? 96
Unusual Ar-H/Rh-H J(HH) NMR coupling in complexes of rhodium(III): experimental evidence and theoretical support for an eta1-arene structure 96
On the active site of mononuclear B1 metallo β-lactamases: a computational study 95
Single or multiple access channels to the CYP450s active site? An answer from free energy simulations of the human aromatase enzyme 95
Atomistic-level portrayal of drug-DNA interplay: A history of courtships and meetings revealed by molecular simulations 94
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 94
Molecular mechanism of Huntinton’s disease : a computational perspective 92
Detecting DNA Mismatches with Metallo-Insertors: A Molecular Simulation Study 91
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) 91
The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme. A Molecular Simulation Study 91
The role of pi-pi, stacking interactions in square planar palladium complexes. Combined quantum mechanics/molecular mechanics QM/MM studie 89
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations 89
Dialkyl effect on enantioselectivity: pi-stacking as a structural feature in P,N complexes of palladium(II) 88
Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase 87
Dissociation of minor groove binders from DNA: insights from metadynamics simulations 87
Structural and dynamical properties of monoclonal antibodies immobilized on CNTs: a molecular simulation study 86
Structural Properties of Polyglutamine Aggregates Investigated via Molecular Dynamics Simulations 86
Hydrogen Bonding Cooperativity in polyQ beta-Sheets from First Principle Calculations 85
Density functional theory studies on copper phenanthroline complexes 85
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study 84
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design 83
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions 83
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) 82
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure 82
Copper-1,10-phenanthroline complexes binding to DNA: structural predictions from molecular simulations 82
Isolation of a Highly Persistent Diphosphanyl Radical: The Phosphorus Analogue of a Hydrazyl 81
Exploiting Cryo-EM Structural Information and All-Atom Simulations to Decrypt the Molecular Mechanism of Splicing Modulators 81
Cis-trans isomerization in triply-bonded ditungsten complexes: A multitude of possible pathways 79
The catalytic mechanism of steroidogenic cytochromes P450 from all-atom simulations: Entwinement with membrane environment, redox partners, and post-transcriptional regulation 77
Metadynamics Simulations Reveal a Na+ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT 76
Unraveling the molecular mechanisms of color expression in anthocyanins 75
Electronically and sterically induced structural distortions in square-planar d(8) complexes 73
Nitrogen fixation by a molybdenum catalyst mimicking the function of the nitrogenase enzyme: A critical evaluation of DFT and solvent effects 73
Can multiscale simulations unravel the function of metallo-enzymes to improve knowledge-based drug discovery? 72
Frontiers of metal-coordinating drug design 72
All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome 72
Decrypting the information exchange pathways across the spliceosome machinery 70
Sliding of alkylating anticancer drugs along the minor groove of DNA: New insights on sequence selectivity 69
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations 69
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations 68
Disclosing the impact of carcinogenic SF3b mutations on pre-mRNA recognition via all-atom simulations 68
All-Atom simulations disclose how cytochrome reductase reshapes the substrate access/egress routes of its partner cyp450s 67
Discovery of a natural cyan blue: A unique food-sourced anthocyanin could replace synthetic brilliant blue 61
Copper trafficking in eukaryotic systems: current knowledge from experimental and computational efforts 60
Totale 10.084
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Categoria #
all - tutte 51.515
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 51.515
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.309 181 115 221 30 103 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
2024/2025301 301 0 0 0 0 0 0 0 0 0 0 0
Totale 11.603