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Alessandro Laio
Alessandro Laio
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Zitiert von
Zitiert von
Jahr
Escaping free-energy minima
A Laio, M Parrinello
Proceedings of the national academy of sciences 99 (20), 12562-12566, 2002
62332002
Clustering by fast search and find of density peaks
A Rodriguez, A Laio
science 344 (6191), 1492-1496, 2014
54172014
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
A Laio, FL Gervasio
Reports on Progress in Physics 71 (12), 126601, 2008
18432008
Efficient Exploration of Reactive Potential Energy Surfaces<? format?> Using Car-Parrinello Molecular Dynamics
M Iannuzzi, A Laio, M Parrinello
Physical review letters 90 (23), 238302, 2003
9542003
Predicting crystal structures: the Parrinello-Rahman method revisited
R Martoňák, A Laio, M Parrinello
Physical review letters 90 (7), 075503, 2003
8872003
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8432019
A Hamiltonian electrostatic coupling scheme for hybrid Car–Parrinello molecular dynamics simulations
A Laio, J VandeVondele, U Rothlisberger
The Journal of chemical physics 116 (16), 6941-6947, 2002
7922002
Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics
P Raiteri, A Laio, FL Gervasio, C Micheletti, M Parrinello
The journal of physical chemistry B 110 (8), 3533-3539, 2006
6742006
A bias-exchange approach to protein folding
S Piana, A Laio
The journal of physical chemistry B 111 (17), 4553-4559, 2007
6652007
Amyloid β protein and Alzheimer’s disease: When computer simulations complement experimental studies
J Nasica-Labouze, PH Nguyen, F Sterpone, O Berthoumieu, NV Buchete, ...
Chemical reviews 115 (9), 3518-3563, 2015
6472015
Assessing the accuracy of metadynamics
A Laio, A Rodriguez-Fortea, FL Gervasio, M Ceccarelli, M Parrinello
The journal of physical chemistry B 109 (14), 6714-6721, 2005
6252005
Using metadynamics to explore complex free-energy landscapes
G Bussi, A Laio
Nature Reviews Physics 2 (4), 200-212, 2020
6022020
Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics
G Bussi, FL Gervasio, A Laio, M Parrinello
Journal of the American Chemical Society 128 (41), 13435-13441, 2006
5962006
Equilibrium free energies from nonequilibrium metadynamics
G Bussi, A Laio, M Parrinello
Physical review letters 96 (9), 090601, 2006
5382006
Physics of iron at Earth's core conditions
A Laio, S Bernard, GL Chiarotti, S Scandolo, E Tosatti
Science 287 (5455), 1027-1030, 2000
4212000
Estimating the intrinsic dimension of datasets by a minimal neighborhood information
E Facco, M d’Errico, A Rodriguez, A Laio
Scientific reports 7 (1), 12140, 2017
3922017
Flexible docking in solution using metadynamics
FL Gervasio, A Laio, M Parrinello
Journal of the American Chemical Society 127 (8), 2600-2607, 2005
3582005
Unsupervised learning methods for molecular simulation data
A Glielmo, BE Husic, A Rodriguez, C Clementi, F Noé, A Laio
Chemical Reviews 121 (16), 9722-9758, 2021
3292021
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations
F Marinelli, F Pietrucci, A Laio, S Piana
PLoS computational biology 5 (8), e1000452, 2009
3282009
Intrinsic dimension of data representations in deep neural networks
A Ansuini, A Laio, JH Macke, D Zoccolan
Advances in Neural Information Processing Systems 32, 2019
3202019
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