Well-tempered metadynamics: a smoothly converging and tunable free-energy method A Barducci, G Bussi, M Parrinello Physical review letters 100 (2), 020603, 2008 | 2803 | 2008 |
Metadynamics A Barducci, M Bonomi, M Parrinello Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011 | 1453* | 2011 |
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 683 | 2019 |
Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics M Bonomi, A Barducci, M Parrinello Journal of computational chemistry 30 (11), 1615-1621, 2009 | 370 | 2009 |
Molecular dissection of amyloid disaggregation by human HSP70 AS Wentink, NB Nillegoda, J Feufel, G Ubartaitė, CP Schneider, ... Nature 587 (7834), 483-488, 2020 | 185 | 2020 |
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 | 164 | 2014 |
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 | 163 | 2006 |
Function, evolution, and structure of J-domain proteins HH Kampinga, C Andreasson, A Barducci, ME Cheetham, D Cyr, ... Cell Stress and Chaperones 24, 7-15, 2019 | 148 | 2019 |
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 | 136 | 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 | 126 | 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 | 126 | 2014 |
Catch bond drives stator mechanosensitivity in the bacterial flagellar motor AL Nord, E Gachon, R Perez-Carrasco, JA Nirody, A Barducci, RM Berry, ... Proceedings of the National Academy of Sciences 114 (49), 12952-12957, 2017 | 101 | 2017 |
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption P De Los Rios, A Barducci Elife 3, e02218, 2014 | 98 | 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 | 98 | 2013 |
DNA-segment-capture model for loop extrusion by structural maintenance of chromosome (SMC) protein complexes JF Marko, P De Los Rios, A Barducci, S Gruber Nucleic acids research 47 (13), 6956-6972, 2019 | 96 | 2019 |
Unraveling molecular interactions in liquid–liquid phase separation of disordered proteins by atomistic simulations M Paloni, R Bailly, L Ciandrini, A Barducci The Journal of Physical Chemistry B 124 (41), 9009-9016, 2020 | 93 | 2020 |
Chaperones convert the energy from ATP into the nonequilibrium stabilization of native proteins P Goloubinoff, AS Sassi, B Fauvet, A Barducci, P De Los Rios Nature chemical biology 14 (4), 388-395, 2018 | 86 | 2018 |
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), 2006 | 79 | 2006 |
Evolution of an intricate J-protein network driving protein disaggregation in eukaryotes NB Nillegoda, A Stank, D Malinverni, N Alberts, A Szlachcic, A Barducci, ... Elife 6, e24560, 2017 | 77 | 2017 |
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 | 75 | 2013 |