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Laio, Alessandro
 Distribuzione geografica
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Continente #
EU - Europa 13.427
NA - Nord America 13.370
AS - Asia 6.944
SA - Sud America 1.016
AF - Africa 154
Continente sconosciuto - Info sul continente non disponibili 29
OC - Oceania 26
Totale 34.966
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Nazione #
US - Stati Uniti d'America 12.948
RU - Federazione Russa 5.986
IT - Italia 2.253
SG - Singapore 2.211
CN - Cina 2.157
SE - Svezia 1.143
IE - Irlanda 940
BR - Brasile 877
UA - Ucraina 665
DE - Germania 577
HK - Hong Kong 567
TR - Turchia 528
VN - Vietnam 528
GB - Regno Unito 504
FR - Francia 354
KR - Corea 353
CA - Canada 316
FI - Finlandia 296
NL - Olanda 134
CH - Svizzera 123
IN - India 122
PL - Polonia 93
JP - Giappone 86
MX - Messico 71
ES - Italia 70
BE - Belgio 68
BD - Bangladesh 56
AT - Austria 48
IQ - Iraq 48
ZA - Sudafrica 48
AR - Argentina 44
UZ - Uzbekistan 37
LB - Libano 33
CZ - Repubblica Ceca 31
GR - Grecia 30
PK - Pakistan 29
EU - Europa 26
EC - Ecuador 23
SA - Arabia Saudita 21
MA - Marocco 20
LT - Lituania 19
AU - Australia 18
CO - Colombia 18
PH - Filippine 18
JO - Giordania 16
ID - Indonesia 15
KE - Kenya 15
TW - Taiwan 14
VE - Venezuela 14
DZ - Algeria 13
MY - Malesia 13
BG - Bulgaria 12
AE - Emirati Arabi Uniti 11
PY - Paraguay 11
RO - Romania 11
SI - Slovenia 11
CL - Cile 10
NP - Nepal 10
TN - Tunisia 10
DK - Danimarca 9
ET - Etiopia 8
KZ - Kazakistan 8
PA - Panama 8
PE - Perù 8
SK - Slovacchia (Repubblica Slovacca) 8
DO - Repubblica Dominicana 7
EG - Egitto 7
IL - Israele 7
HU - Ungheria 6
IR - Iran 6
NZ - Nuova Zelanda 6
RS - Serbia 6
UY - Uruguay 6
AZ - Azerbaigian 5
JM - Giamaica 5
PT - Portogallo 5
TH - Thailandia 5
AL - Albania 4
BA - Bosnia-Erzegovina 4
BO - Bolivia 4
GE - Georgia 4
LK - Sri Lanka 4
MM - Myanmar 4
NO - Norvegia 4
OM - Oman 4
PS - Palestinian Territory 4
TZ - Tanzania 4
AM - Armenia 3
CG - Congo 3
CY - Cipro 3
GH - Ghana 3
MD - Moldavia 3
BH - Bahrain 2
BY - Bielorussia 2
CR - Costa Rica 2
GA - Gabon 2
GT - Guatemala 2
LA - Repubblica Popolare Democratica del Laos 2
LU - Lussemburgo 2
MN - Mongolia 2
Totale 34.914
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Città #
Moscow 1.690
Dallas 1.438
San Jose 1.386
Chandler 1.108
Singapore 1.006
Dublin 939
Ashburn 873
Jacksonville 796
Scuola 565
Ann Arbor 544
Hong Kong 534
New York 494
Chicago 431
Boardman 409
Beijing 362
Wilmington 358
Trieste 348
Hefei 334
Saint Petersburg 291
Woodbridge 289
Izmir 276
Nanjing 263
Washington 259
The Dalles 246
Boydton 223
Istanbul 222
Toronto 215
Phoenix 180
Seoul 172
Des Moines 169
Los Angeles 169
Ho Chi Minh City 168
Santa Clara 164
Munich 162
Helsinki 152
Columbus 150
Princeton 149
Lauterbourg 147
Pisa 144
Shanghai 140
Council Bluffs 137
Milan 130
Cheyenne 123
Houston 115
Ogden 106
Hanoi 105
Nanchang 102
Buffalo 96
Brooklyn 94
São Paulo 94
Rome 79
Brussels 67
Orem 64
Warsaw 60
Dearborn 53
Dong Ket 49
Tokyo 49
London 48
Montreal 44
Kunming 42
Changsha 39
Denver 39
Falls Church 37
Stockholm 37
Jiaxing 36
Seattle 34
Shenyang 34
Amsterdam 33
Bremen 33
Candelo 33
Chennai 33
Atlanta 32
Belo Horizonte 32
Hebei 32
Guangzhou 31
Verona 31
Tianjin 30
Da Nang 29
Johannesburg 28
Lausanne 28
Redondo Beach 28
Redwood City 28
Rio de Janeiro 28
Vienna 27
Paris 26
Mexico City 25
Zhengzhou 25
Boston 24
Orange 24
Poplar 24
Frankfurt am Main 22
Las Vegas 22
San Francisco 22
Turin 22
Hangzhou 21
Tashkent 21
Porto Alegre 20
Naples 19
Haiphong 18
Manchester 18
Totale 20.747
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Nome #
Using metadynamics to explore complex free-energy landscapes 736
Promoting transparency and reproducibility in enhanced molecular simulations 625
Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics 597
Clustering by fast search-and-find of density peaks 430
Protein folding with combined parallel tempering and metadynamics 408
Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics 402
Estimating the intrinsic dimension of datasets by a minimal neighborhood information 402
PHYS 410-Beta-hairpin folding with parallel-tempering and metadynamics 392
Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations 378
Equilibrium free energies from non-equilibrium metadynamics 362
Simulation of Iron at Earth's Core Conditions 358
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 344
Unfolding and identification of membrane proteins in situ 332
Towards a robust approach to infer causality from molecular dynamics simulations 327
Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance 327
A Markov state modeling analysis of sliding dynamics of a 2D model 319
Robust inference of causality in high-dimensional dynamical processes from the Information Imbalance of distance ranks 314
Intrinsic dimension of data representations in deep neural networks 310
In Silico Design of Short Peptides as Sensing Elements for Phenolic Compounds 307
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins 302
Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations 290
Computing the Free Energy without Collective Variables 286
Peptide biosensors for anticancer drugs: Design in silico to work in denaturizing environment 284
Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses 267
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations 267
A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation 266
Absolute Transition Rates for Rare Events from Dynamical Decoupling of Reaction Variables 265
Native fold and docking pose discrimination by the same residue-based scoring function 264
New views on phototransduction from atomic force microscopy and single molecule force spectroscopy on native rods 263
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost 261
Calculating thermodynamics properties of quantum systems by a non-Markovian Monte Carlo procedure 257
A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations 256
A simple and efficient statistical potential for scoring ensembles of protein structures 256
The permeation mechanism of organic cations through a CNG mimic channel 254
Sodium-Galactose Transporter: first steps of transport mechanism investigated by molecular dynamics 252
Toward a unified scoring function for native state discrimination and drug-binding pocket recognition 252
Linear Scaling Causal Discovery from High-Dimensional Time Series by Dynamical Community Detection 250
The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments 250
Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics 249
Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories 249
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations 248
Force generation in lamellipodia is a probabilistic process with fast growth and retraction events 247
Amyloid beta Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies 247
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 246
"Site binding" of Ca2+ ions to polyacrylates in water: A molecular dynamics study of coiling and aggregation 246
Are structural biases at protein termini a signature of vectorial folding? 243
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science 239
Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation 238
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids 236
A QUICKSTEP-based quantum mechanics molecular mechanics approach for silica 233
A comparative theoretical study of dipeptide solvation in water 233
The intrinsic dimension of protein sequence evolution 232
QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS 231
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion 231
fMRI single trial discovery of spatio-temporal brain activity patterns 227
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations 226
Predicting amino acid substitution probabilities using single nucleotide polymorphisms 226
Markov state modeling of sliding friction 226
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO2 from first principles 224
A common root for coevolution and substitution rate variability in protein sequence evolution 224
Computational Design of Peptides Bound to the Major Histocompatibility Complex Class II 222
Automatic topography of high-dimensional data sets by non-parametric density peak clustering 222
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions 221
Prune and distill: similar reformatting of image information along rat visual cortex and deep neural networks 220
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1 216
A bias-exchange approach to protein folding 212
Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its Cα Carbons 212
DADApy: Distance-based analysis of data-manifolds in Python 212
A molecular spring for vision 209
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates 208
Representation mitosis in wide neural networks 208
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 207
Vibrational entropy estimation can improve binding affinity prediction for non-obligatory protein complexes 204
A Monte Carlo approach to the conformal bootstrap 201
Predicting crystal structures: The Parrinello-Rahman method revisited 200
Description and Characterization of a Highly Stable Enthalpic Intermediate State in Mouse Prion Protein Folding 197
The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions 196
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures 195
Metadynamics surfing on topology barriers: the CP N−1 case 195
A Rosetta-based protein design protocol converging to natural sequences 194
Systematic improvement of classical nucleation theory 193
Flexible docking in solution using metadynamics 192
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations 191
Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations 188
Escaping free-energy minima 187
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 186
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 184
A consensus protocol for the in silico optimisation of antibody fragments 183
Data segmentation based on the local intrinsic dimension 183
D-RESP: Dynamically generated electrostatic potential derived charges from quantum mechanics/molecular mechanics simulations 182
Automatic classification of single-molecule force spectroscopy traces from heterogeneous samples 182
Interacting hard-core bosons and surface physics 181
Unsupervised Learning Methods for Molecular Simulation Data 181
Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide 177
DPCfam: Unsupervised protein family classification by Density Peak Clustering of large sequence datasets 175
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions 175
Assessing the accuracy of metadynamics 174
Deciphering the folding kinetics of transmembrane helical proteins 174
Dissociation mechanism of acetic acid in water 174
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics 171
Totale 25.697
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Categoria #
all - tutte 132.585
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 132.585
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021471 0 0 0 0 0 0 0 0 0 199 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
2024/20257.682 972 387 721 1.462 806 318 502 477 330 258 655 794
2025/202613.281 443 1.493 1.028 1.172 1.641 2.547 2.144 1.005 911 897 0 0
Totale 35.654