| Well-tempered metadynamics: a smoothly converging and tunable free-energy method A Barducci, G Bussi, M Parrinello Physical review letters 100 (2), 020603, 2008 | 1511 | 2008 |
| Metadynamics A Barducci, M Bonomi, M Parrinello Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011 | 794* | 2011 |
| Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics M Bonomi, A Barducci, M Parrinello Journal of computational chemistry 30 (11), 1615-1621, 2009 | 254 | 2009 |
| Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations S Marsili, A Barducci, R Chelli, P Procacci, V Schettino The Journal of Physical Chemistry B 110 (29), 14011-14013, 2006 | 127 | 2006 |
| The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems F Sterpone, S Melchionna, P Tuffery, S Pasquali, N Mousseau, ... Chemical Society Reviews 43 (13), 4871-4893, 2014 | 116 | 2014 |
| Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding A Barducci, R Chelli, P Procacci, V Schettino, FL Gervasio, M Parrinello Journal of the American Chemical Society 128 (8), 2705-2710, 2006 | 111 | 2006 |
| Accuracy of current all-atom force-fields in modeling protein disordered states F Palazzesi, MK Prakash, M Bonomi, A Barducci Journal of Chemical Theory and Computation 11 (1), 2-7, 2015 | 88 | 2015 |
| Single-molecule spectroscopy reveals chaperone-mediated expansion of substrate protein R Kellner, H Hofmann, A Barducci, B Wunderlich, D Nettels, B Schuler Proceedings of the National Academy of Sciences 111 (37), 13355-13360, 2014 | 76 | 2014 |
| Free-energy landscape of protein oligomerization from atomistic simulations A Barducci, M Bonomi, MK Prakash, M Parrinello Proceedings of the National Academy of Sciences 110 (49), E4708-E4713, 2013 | 68 | 2013 |
| Misfolding pathways of the prion protein probed by molecular dynamics simulations A Barducci, R Chelli, P Procacci, V Schettino Biophysical journal 88 (2), 1334-1343, 2005 | 67 | 2005 |
| The allosteric communication pathways in KIX domain of CBP F Palazzesi, A Barducci, M Tollinger, M Parrinello Proceedings of the National Academy of Sciences 110 (35), 14237-14242, 2013 | 64 | 2013 |
| Effect of urea on the β-hairpin conformational ensemble and protein denaturation mechanism A Berteotti, A Barducci, M Parrinello Journal of the American Chemical Society 133 (43), 17200-17206, 2011 | 64 | 2011 |
| Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat P Procacci, S Marsili, A Barducci, GF Signorini, R Chelli The Journal of chemical physics 125 (16), 164101, 2006 | 63 | 2006 |
| Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 57 | 2019 |
| Linking well-tempered metadynamics simulations with experiments A Barducci, M Bonomi, M Parrinello Biophysical journal 98 (9), L44-L46, 2010 | 55 | 2010 |
| Replica temperatures for uniform exchange and efficient roundtrip times in explicit solvent parallel tempering simulations MK Prakash, A Barducci, M Parrinello Journal of chemical theory and computation 7 (7), 2025-2027, 2011 | 54 | 2011 |
| Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption P De Los Rios, A Barducci Elife 3, e02218, 2014 | 52 | 2014 |
| Large-scale conformational transitions and dimerization are encoded in the amino-acid sequences of Hsp70 chaperones D Malinverni, S Marsili, A Barducci, P De Los Rios PLoS computational biology 11 (6), e1004262, 2015 | 46 | 2015 |
| Probing the mechanism of pH-induced large-scale conformational changes in dengue virus envelope protein using atomistic simulations MK Prakash, A Barducci, M Parrinello Biophysical journal 99 (2), 588-594, 2010 | 37 | 2010 |
| Combining metadynamics simulation and experiments to characterize dendrimers in solution GM Pavan, A Barducci, L Albertazzi, M Parrinello Soft Matter 9 (9), 2593-2597, 2013 | 33 | 2013 |
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
