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Laio, Alessandro
 Distribuzione geografica
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Continente #
NA - Nord America 14.802
EU - Europa 13.612
AS - Asia 7.083
SA - Sud America 1.017
AF - Africa 154
Continente sconosciuto - Info sul continente non disponibili 29
OC - Oceania 27
Totale 36.724
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Nazione #
US - Stati Uniti d'America 14.358
RU - Federazione Russa 5.986
IT - Italia 2.382
SG - Singapore 2.228
CN - Cina 2.195
SE - Svezia 1.180
IE - Irlanda 940
BR - Brasile 878
UA - Ucraina 665
DE - Germania 581
HK - Hong Kong 573
TR - Turchia 528
VN - Vietnam 528
GB - Regno Unito 505
KR - Corea 355
FR - Francia 354
CA - Canada 330
FI - Finlandia 296
NL - Olanda 140
CH - Svizzera 127
BD - Bangladesh 126
IN - India 122
PL - Polonia 93
JP - Giappone 89
MX - Messico 73
ES - Italia 71
BE - Belgio 69
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 30
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
NP - Nepal 12
AE - Emirati Arabi Uniti 11
PY - Paraguay 11
RO - Romania 11
SI - Slovenia 11
CL - Cile 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
NZ - Nuova Zelanda 7
HU - Ungheria 6
IR - Iran 6
RS - Serbia 6
UY - Uruguay 6
AZ - Azerbaigian 5
JM - Giamaica 5
MD - Moldavia 5
PT - Portogallo 5
TH - Thailandia 5
AL - Albania 4
BA - Bosnia-Erzegovina 4
BO - Bolivia 4
CR - Costa Rica 4
GE - Georgia 4
LK - Sri Lanka 4
MM - Myanmar 4
NO - Norvegia 4
OM - Oman 4
PS - Palestinian Territory 4
TT - Trinidad e Tobago 4
TZ - Tanzania 4
AM - Armenia 3
CG - Congo 3
CY - Cipro 3
GH - Ghana 3
BH - Bahrain 2
BY - Bielorussia 2
GA - Gabon 2
GT - Guatemala 2
HN - Honduras 2
LA - Repubblica Popolare Democratica del Laos 2
Totale 36.670
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Città #
San Jose 1.767
Moscow 1.690
Dallas 1.446
Chandler 1.108
Singapore 1.011
Dublin 939
Ashburn 910
Jacksonville 796
Chicago 577
Scuola 565
Ann Arbor 545
Hong Kong 539
New York 504
Washington 469
Boardman 409
Boydton 394
Beijing 373
Trieste 358
Wilmington 358
Hefei 334
Saint Petersburg 291
Woodbridge 289
Izmir 276
Nanjing 263
Phoenix 253
The Dalles 247
Istanbul 222
Cheyenne 219
Toronto 219
Des Moines 217
Santa Clara 187
Los Angeles 180
Seoul 174
Ho Chi Minh City 168
Munich 162
Helsinki 152
Columbus 150
Princeton 149
Lauterbourg 147
Pisa 144
Shanghai 141
Milan 138
Council Bluffs 137
Houston 116
Ogden 106
Buffalo 105
Hanoi 105
Nanchang 102
Brooklyn 96
Rome 96
São Paulo 94
Brussels 67
Orem 66
Warsaw 60
Dearborn 53
Tokyo 51
Dong Ket 49
London 48
Montreal 45
Kunming 42
Denver 41
Changsha 39
Falls Church 37
Stockholm 37
Atlanta 36
Jiaxing 36
Seattle 34
Shenyang 34
Amsterdam 33
Bremen 33
Candelo 33
Chennai 33
Belo Horizonte 32
Hebei 32
Verona 32
Guangzhou 31
Tianjin 31
Da Nang 29
Johannesburg 28
Lausanne 28
Redondo Beach 28
Redwood City 28
Rio de Janeiro 28
Mexico City 27
Vienna 27
Paris 26
Boston 25
Orange 25
San Francisco 25
Zhengzhou 25
Poplar 24
Turin 23
Frankfurt am Main 22
Las Vegas 22
Hangzhou 21
Naples 21
Tashkent 21
Porto Alegre 20
Haiphong 18
Manchester 18
Totale 22.061
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Nome #
Using metadynamics to explore complex free-energy landscapes 879
Promoting transparency and reproducibility in enhanced molecular simulations 825
Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics 731
Protein folding with combined parallel tempering and metadynamics 532
Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics 527
PHYS 410-Beta-hairpin folding with parallel-tempering and metadynamics 520
Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations 508
Equilibrium free energies from non-equilibrium metadynamics 488
Clustering by fast search-and-find of density peaks 439
Estimating the intrinsic dimension of datasets by a minimal neighborhood information 418
Simulation of Iron at Earth's Core Conditions 366
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 348
Unfolding and identification of membrane proteins in situ 336
Towards a robust approach to infer causality from molecular dynamics simulations 331
Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance 331
A Markov state modeling analysis of sliding dynamics of a 2D model 327
Intrinsic dimension of data representations in deep neural networks 325
Robust inference of causality in high-dimensional dynamical processes from the Information Imbalance of distance ranks 317
In Silico Design of Short Peptides as Sensing Elements for Phenolic Compounds 311
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins 305
Computing the Free Energy without Collective Variables 296
Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations 292
Peptide biosensors for anticancer drugs: Design in silico to work in denaturizing environment 289
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations 273
A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation 270
Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses 270
Absolute Transition Rates for Rare Events from Dynamical Decoupling of Reaction Variables 270
Native fold and docking pose discrimination by the same residue-based scoring function 269
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost 264
New views on phototransduction from atomic force microscopy and single molecule force spectroscopy on native rods 264
A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations 263
Calculating thermodynamics properties of quantum systems by a non-Markovian Monte Carlo procedure 263
A simple and efficient statistical potential for scoring ensembles of protein structures 263
The permeation mechanism of organic cations through a CNG mimic channel 260
Toward a unified scoring function for native state discrimination and drug-binding pocket recognition 258
Sodium-Galactose Transporter: first steps of transport mechanism investigated by molecular dynamics 257
Linear Scaling Causal Discovery from High-Dimensional Time Series by Dynamical Community Detection 256
The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments 256
Force generation in lamellipodia is a probabilistic process with fast growth and retraction events 252
Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics 252
"Site binding" of Ca2+ ions to polyacrylates in water: A molecular dynamics study of coiling and aggregation 252
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations 250
Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories 249
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 248
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 248
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science 248
Amyloid beta Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies 247
Are structural biases at protein termini a signature of vectorial folding? 244
QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS 241
Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation 239
A QUICKSTEP-based quantum mechanics molecular mechanics approach for silica 238
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids 237
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion 235
A comparative theoretical study of dipeptide solvation in water 234
The intrinsic dimension of protein sequence evolution 232
Prune and distill: similar reformatting of image information along rat visual cortex and deep neural networks 231
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations 230
Markov state modeling of sliding friction 230
A common root for coevolution and substitution rate variability in protein sequence evolution 230
fMRI single trial discovery of spatio-temporal brain activity patterns 229
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO2 from first principles 229
Predicting amino acid substitution probabilities using single nucleotide polymorphisms 227
Computational Design of Peptides Bound to the Major Histocompatibility Complex Class II 225
Automatic topography of high-dimensional data sets by non-parametric density peak clustering 225
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions 222
DADApy: Distance-based analysis of data-manifolds in Python 221
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1 218
A bias-exchange approach to protein folding 215
Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its Cα Carbons 215
Representation mitosis in wide neural networks 214
Vibrational entropy estimation can improve binding affinity prediction for non-obligatory protein complexes 212
A molecular spring for vision 210
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates 209
A Monte Carlo approach to the conformal bootstrap 204
Predicting crystal structures: The Parrinello-Rahman method revisited 203
Description and Characterization of a Highly Stable Enthalpic Intermediate State in Mouse Prion Protein Folding 201
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations 198
A Rosetta-based protein design protocol converging to natural sequences 198
Metadynamics surfing on topology barriers: the CP N−1 case 197
The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions 197
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures 196
Systematic improvement of classical nucleation theory 195
Flexible docking in solution using metadynamics 193
Escaping free-energy minima 192
Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations 192
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 187
Automatic classification of single-molecule force spectroscopy traces from heterogeneous samples 187
A consensus protocol for the in silico optimisation of antibody fragments 186
Interacting hard-core bosons and surface physics 185
Data segmentation based on the local intrinsic dimension 185
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 185
D-RESP: Dynamically generated electrostatic potential derived charges from quantum mechanics/molecular mechanics simulations 184
Unsupervised Learning Methods for Molecular Simulation Data 183
Unsupervised detection of large-scale weather patterns in the northern hemisphere via Markov State Modelling: from blockings to teleconnections 182
DPCfam: Unsupervised protein family classification by Density Peak Clustering of large sequence datasets 181
Assessing the accuracy of metadynamics 179
Deciphering the folding kinetics of transmembrane helical proteins 178
Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide 178
Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes 177
Dissociation mechanism of acetic acid in water 176
Totale 27.234
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Categoria #
all - tutte 139.578
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 139.578
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021207 0 0 0 0 0 0 0 0 0 0 0 207
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
2025/202615.039 443 1.493 1.028 1.172 1.641 2.547 2.144 1.005 911 1.225 860 570
Totale 37.412