| Escaping free-energy minima A Laio, M Parrinello Proceedings of the national academy of sciences 99 (20), 12562-12566, 2002 | 5926 | 2002 |
| Clustering by fast search and find of density peaks A Rodriguez, A Laio science 344 (6191), 1492-1496, 2014 | 5031 | 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 | 1771 | 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 | 926 | 2003 |
| Predicting crystal structures: the Parrinello-Rahman method revisited R Martoňák, A Laio, M Parrinello Physical review letters 90 (7), 075503, 2003 | 809 | 2003 |
| 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 | 782 | 2002 |
| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 694 | 2019 |
| A bias-exchange approach to protein folding S Piana, A Laio The journal of physical chemistry B 111 (17), 4553-4559, 2007 | 646 | 2007 |
| 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 | 637 | 2006 |
| 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 | 619 | 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 | 607 | 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 | 579 | 2006 |
| Equilibrium free energies from nonequilibrium metadynamics G Bussi, A Laio, M Parrinello Physical review letters 96 (9), 090601, 2006 | 523 | 2006 |
| Using metadynamics to explore complex free-energy landscapes G Bussi, A Laio Nature Reviews Physics 2 (4), 200-212, 2020 | 488 | 2020 |
| Physics of iron at Earth's core conditions A Laio, S Bernard, GL Chiarotti, S Scandolo, E Tosatti Science 287 (5455), 1027-1030, 2000 | 408 | 2000 |
| Flexible docking in solution using metadynamics FL Gervasio, A Laio, M Parrinello Journal of the American Chemical Society 127 (8), 2600-2607, 2005 | 344 | 2005 |
| 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 | 329 | 2017 |
| 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 | 325 | 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 | 307 | 2005 |
| An efficient real space multigrid QM/MM electrostatic coupling T Laino, F Mohamed, A Laio, M Parrinello Journal of Chemical Theory and Computation 1 (6), 1176-1184, 2005 | 285 | 2005 |
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
