Alessandro Laio

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michele parrinelloDepartment of ChemistryDirección de correo verificada de phys.chem.ethz.ch
Alex RodriguezUniversity of TriesteDirección de correo verificada de units.it
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryDirección de correo verificada de epfl.ch
Francesco Luigi GervasioProfessor of Pharmaceutical Sciences at University of Geneva & Professor of Chemistry UCLDirección de correo verificada de unige.ch
Fabio Pietrucciassociate professor (maître de conférences, HDR), Sorbonne UniversitéDirección de correo verificada de sorbonne-universite.fr
Erio TosattiTheoretical Condensed Matter PhysicistDirección de correo verificada de sissa.it
Joost VandeVondeleDeputy Director for science, Head of Research Infrastructure Engineering, CSCS, ETH ZurichDirección de correo verificada de cscs.ch
Pilar CossioFlatiron InstituteDirección de correo verificada de flatironinstitute.org
Giovanni BussiScuola Internazionale Superiore di Studi Avanzati, Trieste, ItalyDirección de correo verificada de sissa.it
Stefano pianaResearch Fellow, DE Shaw ResearchDirección de correo verificada de deshaw.com
Fabrizio MarinelliAssistant Professor (Promoted Associate Prof effective July 2025), Medical College of Wisconsin, USADirección de correo verificada de mcw.edu
Xevi BiarnésAssociate Professor, IQS School of Engineering, Universitat Ramon LlullDirección de correo verificada de iqs.url.edu
marcella iannuzziUniversity of ZurichDirección de correo verificada de chem.uzh.ch
Cristian MichelettiSISSADirección de correo verificada de sissa.it
Daniele GranataSpecialist Scientist at Molecular Modelling and Design (MMD) Department, Novo Nordisk, DenmarkDirección de correo verificada de novonordisk.com
Alessandra MagistratoResearch Director, CNR-IOM at SISSADirección de correo verificada de sissa.it

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Alessandro Laio

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molecular dynamics atomistic simulations machine learning


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Escaping free-energy minima A Laio, M Parrinello Proceedings of the national academy of sciences 99 (20), 12562-12566, 2002	6198	2002
Clustering by fast search and find of density peaks A Rodriguez, A Laio science 344 (6191), 1492-1496, 2014	5367	2014
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	1839	2008
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	952	2003
Predicting crystal structures: the Parrinello-Rahman method revisited R Martoňák, A Laio, M Parrinello Physical review letters 90 (7), 075503, 2003	884	2003
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019	812	2019
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	794	2002
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	668	2006
A bias-exchange approach to protein folding S Piana, A Laio The journal of physical chemistry B 111 (17), 4553-4559, 2007	666	2007
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	638	2015
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	621	2005
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	596	2006
Using metadynamics to explore complex free-energy landscapes G Bussi, A Laio Nature Reviews Physics 2 (4), 200-212, 2020	581	2020
Equilibrium free energies from nonequilibrium metadynamics G Bussi, A Laio, M Parrinello Physical review letters 96 (9), 090601, 2006	535	2006
Physics of iron at Earth's core conditions A Laio, S Bernard, GL Chiarotti, S Scandolo, E Tosatti Science 287 (5455), 1027-1030, 2000	417	2000
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	379	2017
Flexible docking in solution using metadynamics FL Gervasio, A Laio, M Parrinello Journal of the American Chemical Society 127 (8), 2600-2607, 2005	353	2005
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	329	2009
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions B Ensing, A Laio, M Parrinello, ML Klein The journal of physical chemistry B 109 (14), 6676-6687, 2005	314	2005
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	311	2021

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