| PLUMED: A portable plugin for free-energy calculations with molecular dynamics M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ... Computer Physics Communications 180 (10), 1961-1972, 2009 | 1825 | 2009 |
| 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 | 772 | 2019 |
| 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 | 328 | 2009 |
| A collective variable for the efficient exploration of protein beta-sheet structures: Application to SH3 and GB1 F Pietrucci, A Laio Journal of Chemical Theory and Computation 5, 2197, 2009 | 186 | 2009 |
| Formation of nucleobases in a Miller–Urey reducing atmosphere M Ferus, F Pietrucci, AM Saitta, A Knížek, P Kubelík, O Ivanek, ... Proceedings of the National Academy of Sciences 114 (17), 4306-4311, 2017 | 183 | 2017 |
| Ab initio study of the vibrational properties of crystalline TeO 2: The α, β, and γ phases M Ceriotti, F Pietrucci, M Bernasconi Physical Review B 73 (10), 104304, 2006 | 182 | 2006 |
| Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems P Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ... Journal of Chemical Theory and Computation 16 (8), 4757-4775, 2020 | 178 | 2020 |
| Strategies for the exploration of free energy landscapes: unity in diversity and challenges ahead F Pietrucci Reviews in Physics 2, 32-45, 2017 | 171 | 2017 |
| Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulations F Pietrucci, F Marinelli, P Carloni, A Laio Journal of the American Chemical Society 131, 11811, 2009 | 167 | 2009 |
| Graph theory meets ab initio molecular dynamics: Atomic structures and transformations at the nanoscale F Pietrucci, W Andreoni Physical Review Letters 107 (8), 085504, 2011 | 164 | 2011 |
| Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios F Pietrucci, AM Saitta Proceedings of the National Academy of Sciences 112 (49), 15030-15035, 2015 | 146 | 2015 |
| Metadynamics convergence law in a multidimensional system Y Crespo, F Marinelli, F Pietrucci, A Laio Physical Review E 81 (5), 055701, 2010 | 108 | 2010 |
| Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO 2 from first principles F Pietrucci, M Bernasconi, A Laio, M Parrinello Physical Review B 78 (9), 094301, 2008 | 101 | 2008 |
| METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations X Biarnés, F Pietrucci, F Marinelli, A Laio Computer Physics Communications 183 (1), 203-211, 2012 | 98 | 2012 |
| Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail F Baftizadeh, X Biarnes, F Pietrucci, F Affinito, A Laio Journal of the American Chemical Society 134 (8), 3886-3894, 2012 | 94 | 2012 |
| Ab initio study of yttria-stabilized cubic zirconia surfaces G Ballabio, M Bernasconi, F Pietrucci, S Serra Physical Review B 70 (7), 075417, 2004 | 79 | 2004 |
| Exploring the universe of protein structures beyond the Protein Data Bank P Cossio, A Trovato, F Pietrucci, F Seno, A Maritan, A Laio PLoS computational biology 6 (11), e1000957, 2010 | 77 | 2010 |
| Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation M Fitzner, GC Sosso, F Pietrucci, S Pipolo, A Michaelides Nature communications 8 (1), 2257, 2017 | 76 | 2017 |
| Capture and Release of CO2 in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction Dynamics C Ma, F Pietrucci, W Andreoni Journal of chemical theory and computation 11 (7), 3189-3198, 2015 | 76 | 2015 |
| HAL-Muséum National d'Histoire Naturelle G Cassone, F Pietrucci, F Saija, F Guyot, J Sponer | 73* | |
Antonino Marco SaittaFull Professor - Director of the Institute for Mineralogy, Physics of Materials and CosmochemistryVerified email at upmc.fr