Laio, Alessandro
 Distribuzione geografica
Continente #
EU - Europa 9.227
NA - Nord America 6.565
AS - Asia 2.418
SA - Sud America 37
Continente sconosciuto - Info sul continente non disponibili 26
OC - Oceania 17
AF - Africa 15
Totale 18.305
Nazione #
US - Stati Uniti d'America 6.335
RU - Federazione Russa 3.309
IT - Italia 1.723
SE - Svezia 1.096
CN - Cina 1.072
IE - Irlanda 933
UA - Ucraina 647
SG - Singapore 550
TR - Turchia 418
DE - Germania 374
GB - Regno Unito 370
CA - Canada 223
FI - Finlandia 214
FR - Francia 154
HK - Hong Kong 152
CH - Svizzera 102
NL - Olanda 66
BE - Belgio 65
VN - Vietnam 50
JP - Giappone 39
IN - India 35
LB - Libano 31
BR - Brasile 28
ES - Italia 28
AT - Austria 26
EU - Europa 26
PL - Polonia 26
CZ - Repubblica Ceca 24
GR - Grecia 20
KR - Corea 14
UZ - Uzbekistan 14
AU - Australia 12
BG - Bulgaria 10
RO - Romania 9
TW - Taiwan 8
DK - Danimarca 7
SK - Slovacchia (Repubblica Slovacca) 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
MA - Marocco 3
PK - Pakistan 3
TZ - Tanzania 3
DZ - Algeria 2
LT - Lituania 2
PH - Filippine 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
IQ - Iraq 1
KZ - Kazakistan 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 18.305
Città #
Chandler 1.108
Dublin 932
Jacksonville 795
Scuola 565
Moscow 562
Ann Arbor 544
Boardman 403
New York 394
Wilmington 358
Saint Petersburg 291
Woodbridge 289
Ashburn 280
Singapore 279
Izmir 275
Nanjing 262
Trieste 235
Toronto 203
Princeton 149
Istanbul 143
Pisa 142
Hong Kong 130
Beijing 116
Santa Clara 115
Ogden 106
Nanchang 102
Helsinki 98
Houston 97
Milan 95
Brooklyn 64
Brussels 64
Dearborn 52
Dong Ket 49
Rome 47
Kunming 42
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
Guangzhou 24
Washington 24
London 23
Orange 23
Shanghai 22
Zhengzhou 22
Hangzhou 20
Den Haag 17
Turin 17
Las Vegas 16
Amsterdam 15
Paris 15
Redmond 15
Frankfurt Am Main 13
Torino 13
Vienna 13
Norwalk 12
Padova 12
Tokyo 12
Frankfurt am Main 11
Lugano 11
Udine 11
Yubileyny 11
Zurich 11
Catania 10
Changchun 10
Dongguan 10
Lanzhou 10
Los Angeles 9
Beinasco 8
Ningbo 8
Sauris 8
Barcelona 7
Bari 7
Bergamo 7
Bologna 7
Fuzhou 7
Ottawa 7
Strasbourg 7
Trento 7
Wuhan 7
Aigle 6
Auburn Hills 6
Cambridge 6
Chengdu 6
Lappeenranta 6
Pavia 6
Plauen 6
Bratislava 5
Brno 5
Dubendorf 5
Florence 5
Genoa 5
Totale 10.378
Nome #
Using metadynamics to explore complex free-energy landscapes 329
Clustering by fast search-and-find of density peaks 284
Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics 271
Promoting transparency and reproducibility in enhanced molecular simulations 250
Simulation of Iron at Earth's Core Conditions 239
Estimating the intrinsic dimension of datasets by a minimal neighborhood information 210
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels 204
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins 196
In Silico Design of Short Peptides as Sensing Elements for Phenolic Compounds 191
Intrinsic dimension of data representations in deep neural networks 184
Robust inference of causality in high-dimensional dynamical processes from the Information Imbalance of distance ranks 177
Computing the Free Energy without Collective Variables 174
Amyloid beta Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies 172
Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations 172
Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses 172
A Markov state modeling analysis of sliding dynamics of a 2D model 171
Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories 171
Native fold and docking pose discrimination by the same residue-based scoring function 165
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost 165
The permeation mechanism of organic cations through a CNG mimic channel 164
Peptide biosensors for anticancer drugs: Design in silico to work in denaturizing environment 161
Sodium-Galactose Transporter: The First Steps of the Transport Mechanism Investigated by Molecular Dynamics 161
fMRI single trial discovery of spatio-temporal brain activity patterns 156
Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics 154
New views on phototransduction from atomic force microscopy and single molecule force spectroscopy on native rods 154
A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation 151
A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations 151
Force generation in lamellipodia is a probabilistic process with fast growth and retraction events 148
QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS 148
Toward a unified scoring function for native state discrimination and drug-binding pocket recognition 148
Predicting crystal structures: The Parrinello-Rahman method revisited 146
Computational Design of Peptides Bound to the Major Histocompatibility Complex Class II 146
A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations 143
Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation 142
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
Absolute Transition Rates for Rare Events from Dynamical Decoupling of Reaction Variables 141
The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments 140
Are structural biases at protein termini a signature of vectorial folding? 138
Calculating thermodynamics properties of quantum systems by a non-Markovian Monte Carlo procedure 138
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science 138
Description and Characterization of a Highly Stable Enthalpic Intermediate State in Mouse Prion Protein Folding 137
Assessing the capability of in silico mutation protocols for predicting the finite temperature conformation of amino acids 137
Markov state modeling of sliding friction 137
The intrinsic dimension of protein sequence evolution 136
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations 133
A simple and efficient statistical potential for scoring ensembles of protein structures 131
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO2 from first principles 129
A QUICKSTEP-based quantum mechanics molecular mechanics approach for silica 128
Protein folding with combined parallel tempering and metadynamics 126
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates 126
Metadynamics surfing on topology barriers: the CP N−1 case 126
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1 126
A bias-exchange approach to protein folding 125
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations 124
Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics 122
Predicting amino acid substitution probabilities using single nucleotide polymorphisms 122
Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes 122
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures 121
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 121
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations 120
"Site binding" of Ca2+ ions to polyacrylates in water: A molecular dynamics study of coiling and aggregation 119
Quantum theory of frequency shifts of an electromagnetic wave interacting with a plasma 119
Assessing the accuracy of metadynamics 118
PHYS 410-Beta-hairpin folding with parallel-tempering and metadynamics 118
Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide 118
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions 117
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion 114
Deciphering the folding kinetics of transmembrane helical proteins 113
A comparative theoretical study of dipeptide solvation in water 112
Azulene-to-naphthalene rearrangement: The Car-Parrinello metadynamics method explores various mechanisms 111
A molecular spring for vision 111
D-RESP: Dynamically generated electrostatic potential derived charges from quantum mechanics/molecular mechanics simulations 111
Physical origin of selectivity in ionic channels of biological membranes 111
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 111
The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions 111
Cytoskeletal actin networks in motile cells are critically self-organized systems synchronized by mechanical interactions 110
A common root for coevolution and substitution rate variability in protein sequence evolution 109
Prune and distill: similar reformatting of image information along rat visual cortex and deep neural networks 108
Automated parametrization of biomolecular force fields from quantum mechanics/molecular mechanics (QM/MM) simulations through force matching 108
Molecular dynamics simulation of reconstructive phase transitions on an anhydrous zeolite 108
Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its Cα Carbons 108
Systematic improvement of classical nucleation theory 107
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics 107
Flexible docking in solution using metadynamics 107
Conformations of the Huntingtin N-term in aqueous solution from atomistic simulations 106
Advillin Folding Takes Place on a Hypersurface of Small Dimensionality 106
An efficient real space multigrid OM/MM electrostatic coupling 106
Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail 106
Electron transfer induced dissociation of chloro-cyano-benzene radical anion: Driving chemical reactions via charge restraints 105
A third hypothesis on the origin of the redshift: Application to the Pioneer 6 data 105
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations 105
Anisotropy of Earth's D '' layer and stacking faults in the MgSiO3 post-perovskite phase 104
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate 104
Physics of iron at Earth's core conditions 104
Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics 104
A variational definition of electrostatic potential derived charges 103
Spontaneously Forming Dendritic Voids in Liquid Water Can Host Small Polymers 103
Step-step interactions and correlations from 1D hard-core boson mapping 103
Escaping free-energy minima 101
Totale 13.947
Categoria #
all - tutte 79.943
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 79.943


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.272 0 0 0 0 170 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
2024/20254.278 972 387 721 1.462 736 0 0 0 0 0 0 0
Totale 18.969