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Laio, Alessandro
 Distribuzione geografica
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Continente #
EU - Europa 7.591
NA - Nord America 6.468
AS - Asia 2.170
Continente sconosciuto - Info sul continente non disponibili 26
SA - Sud America 18
OC - Oceania 17
AF - Africa 14
Totale 16.304
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Nazione #
US - Stati Uniti d'America 6.242
RU - Federazione Russa 1.759
IT - Italia 1.666
SE - Svezia 1.096
CN - Cina 1.057
IE - Irlanda 933
UA - Ucraina 646
SG - Singapore 457
DE - Germania 372
GB - Regno Unito 365
TR - Turchia 281
CA - Canada 219
FI - Finlandia 209
FR - Francia 154
HK - Hong Kong 152
CH - Svizzera 101
BE - Belgio 64
NL - Olanda 56
VN - Vietnam 50
JP - Giappone 39
IN - India 35
LB - Libano 31
AT - Austria 26
ES - Italia 26
EU - Europa 26
PL - Polonia 25
CZ - Repubblica Ceca 24
GR - Grecia 20
KR - Corea 14
UZ - Uzbekistan 14
AU - Australia 12
BG - Bulgaria 10
BR - Brasile 9
RO - Romania 9
DK - Danimarca 7
SK - Slovacchia (Repubblica Slovacca) 7
TW - Taiwan 7
MY - Malesia 6
SI - Slovenia 6
CO - Colombia 5
IL - Israele 5
MX - Messico 5
NZ - Nuova Zelanda 5
IR - Iran 4
BD - Bangladesh 3
EC - Ecuador 3
GH - Ghana 3
KE - Kenya 3
LK - Sri Lanka 3
TZ - Tanzania 3
DZ - Algeria 2
MA - Marocco 2
PH - Filippine 2
PK - Pakistan 2
PT - Portogallo 2
RS - Serbia 2
SA - Arabia Saudita 2
AE - Emirati Arabi Uniti 1
BY - Bielorussia 1
CL - Cile 1
DM - Dominica 1
EE - Estonia 1
HU - Ungheria 1
KZ - Kazakistan 1
LT - Lituania 1
MD - Moldavia 1
MK - Macedonia 1
NP - Nepal 1
PA - Panama 1
QA - Qatar 1
TH - Thailandia 1
TM - Turkmenistan 1
TN - Tunisia 1
Totale 16.304
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Città #
Chandler 1.108
Dublin 932
Jacksonville 795
Scuola 565
Ann Arbor 544
Boardman 403
New York 394
Wilmington 358
Saint Petersburg 291
Woodbridge 289
Ashburn 277
Izmir 275
Nanjing 262
Singapore 229
Trieste 214
Toronto 202
Moscow 198
Princeton 149
Pisa 142
Hong Kong 130
Beijing 115
Ogden 106
Nanchang 102
Houston 97
Helsinki 95
Milan 91
Brooklyn 64
Brussels 63
Dearborn 52
Dong Ket 49
Rome 45
Kunming 41
Santa Clara 40
Changsha 38
Falls Church 37
Jiaxing 36
Bremen 33
Candelo 33
Shenyang 33
Hebei 32
Tianjin 30
Chicago 29
Redwood City 28
Verona 27
Lausanne 25
Seattle 25
Washington 24
Guangzhou 23
London 23
Orange 23
Shanghai 22
Zhengzhou 22
Hangzhou 20
Den Haag 17
Las Vegas 16
Amsterdam 15
Paris 15
Redmond 15
Frankfurt Am Main 13
Torino 13
Turin 13
Vienna 13
Norwalk 12
Padova 12
Tokyo 12
Lugano 11
Zurich 11
Catania 10
Changchun 10
Dongguan 10
Lanzhou 10
Udine 10
Frankfurt am Main 9
Los Angeles 9
Beinasco 8
Ningbo 8
Sauris 8
Bari 7
Bergamo 7
Bologna 7
Strasbourg 7
Trento 7
Aigle 6
Auburn Hills 6
Barcelona 6
Cambridge 6
Chengdu 6
Istanbul 6
Pavia 6
Plauen 6
Bratislava 5
Brno 5
Dubendorf 5
Florence 5
Fuzhou 5
Genoa 5
Genova 5
Jinan 5
Kolkata 5
Lappeenranta 5
Totale 9.693
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Nome #
Using metadynamics to explore complex free-energy landscapes 307
Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics 263
Clustering by fast search-and-find of density peaks 257
Simulation of Iron at Earth's Core Conditions 232
Promoting transparency and reproducibility in enhanced molecular simulations 228
Estimating the intrinsic dimension of datasets by a minimal neighborhood information 185
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins 171
In Silico Design of Short Peptides as Sensing Elements for Phenolic Compounds 170
Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories 164
Amyloid beta Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies 163
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 163
Intrinsic dimension of data representations in deep neural networks 158
Robust inference of causality in high-dimensional dynamical processes from the Information Imbalance of distance ranks 157
Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses 154
Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations 150
Computing the Free Energy without Collective Variables 148
Native fold and docking pose discrimination by the same residue-based scoring function 146
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost 146
fMRI single trial discovery of spatio-temporal brain activity patterns 143
Peptide biosensors for anticancer drugs: Design in silico to work in denaturizing environment 143
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 143
QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS 139
Computational Design of Peptides Bound to the Major Histocompatibility Complex Class II 138
The permeation mechanism of organic cations through a CNG mimic channel 138
Predicting crystal structures: The Parrinello-Rahman method revisited 137
New views on phototransduction from atomic force microscopy and single molecule force spectroscopy on native rods 136
A Markov state modeling analysis of sliding dynamics of a 2D model 134
A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation 131
A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations 131
Force generation in lamellipodia is a probabilistic process with fast growth and retraction events 130
Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics 129
Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation 129
Toward a unified scoring function for native state discrimination and drug-binding pocket recognition 129
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations 128
The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments 128
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science 128
Sodium-Galactose Transporter: first steps of transport mechanism investigated by molecular dynamics 126
Description and Characterization of a Highly Stable Enthalpic Intermediate State in Mouse Prion Protein Folding 125
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations 125
Absolute Transition Rates for Rare Events from Dynamical Decoupling of Reaction Variables 124
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids 123
Markov state modeling of sliding friction 123
Are structural biases at protein termini a signature of vectorial folding? 122
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 121
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO2 from first principles 120
Calculating thermodynamics properties of quantum systems by a non-Markovian Monte Carlo procedure 119
Metadynamics surfing on topology barriers: the CP N−1 case 119
Protein folding with combined parallel tempering and metadynamics 118
The intrinsic dimension of protein sequence evolution 118
Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics 116
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates 116
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations 116
Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4 116
Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide 114
Quantum theory of frequency shifts of an electromagnetic wave interacting with a plasma 114
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures 113
A simple and efficient statistical potential for scoring ensembles of protein structures 113
Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes 113
A QUICKSTEP-based quantum mechanics molecular mechanics approach for silica 112
A bias-exchange approach to protein folding 111
PHYS 410-Beta-hairpin folding with parallel-tempering and metadynamics 111
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1 111
Assessing the accuracy of metadynamics 110
Predicting amino acid substitution probabilities using single nucleotide polymorphisms 109
Azulene-to-naphthalene rearrangement: The Car-Parrinello metadynamics method explores various mechanisms 108
Deciphering the folding kinetics of transmembrane helical proteins 106
Physical origin of selectivity in ionic channels of biological membranes 105
Molecular dynamics simulation of reconstructive phase transitions on an anhydrous zeolite 105
QM/MM Car-Parrinello molecular dynamics study of the solvent effects on the ground state and on the first excited singlet state of acetone in water 103
Advillin Folding Takes Place on a Hypersurface of Small Dimensionality 102
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions 102
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations 101
Conformations of the Huntingtin N-term in aqueous solution from atomistic simulations 101
D-RESP: Dynamically generated electrostatic potential derived charges from quantum mechanics/molecular mechanics simulations 101
"Site binding" of Ca2+ ions to polyacrylates in water: A molecular dynamics study of coiling and aggregation 101
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion 101
A third hypothesis on the origin of the redshift: Application to the Pioneer 6 data 100
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate 100
An efficient real space multigrid OM/MM electrostatic coupling 100
Automated parametrization of biomolecular force fields from quantum mechanics/molecular mechanics (QM/MM) simulations through force matching 100
The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions 100
A molecular spring for vision 99
Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics 99
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics 99
Cytoskeletal actin networks in motile cells are critically self-organized systems synchronized by mechanical interactions 99
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations 98
Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail 97
The conformational free energy landscape of beta-D-glucopyranose. implications for substrate preactivation in beta-glucoside hydrolases 97
Step-step interactions and correlations from 1D hard-core boson mapping 97
Systematic improvement of classical nucleation theory 96
Physics of iron at Earth's core conditions 96
Spontaneously Forming Dendritic Voids in Liquid Water Can Host Small Polymers 96
Electron transfer induced dissociation of chloro-cyano-benzene radical anion: Driving chemical reactions via charge restraints 95
Anisotropy of Earth's D '' layer and stacking faults in the MgSiO3 post-perovskite phase 95
A comparative theoretical study of dipeptide solvation in water 95
A variational definition of electrostatic potential derived charges 95
Metadynamics convergence law in a multidimensional system 95
Escaping free-energy minima 94
Dissociation mechanism of acetic acid in water 93
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions 93
Totale 12.618
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Categoria #
all - tutte 75.000
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 75.000
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.342 0 0 0 70 170 56 306 230 178 117 177 38
2020/20211.631 184 12 16 156 65 336 173 22 196 199 65 207
2021/20221.529 231 174 17 148 207 54 96 167 88 56 114 177
2022/20233.923 543 393 319 339 240 768 398 290 380 64 76 113
2023/20242.206 150 61 82 52 309 687 63 111 363 112 103 113
2024/20252.274 972 387 721 194 0 0 0 0 0 0 0 0
Totale 16.965