Alessandro Barducci
Alessandro Barducci
Centre de Biochimie Structurale, Montpellier, France
Verified email at cbs.cnrs.fr
Title
Cited by
Cited by
Year
Well-tempered metadynamics: a smoothly converging and tunable free-energy method
A Barducci, G Bussi, M Parrinello
Physical review letters 100 (2), 020603, 2008
16282008
Metadynamics
A Barducci, M Bonomi, M Parrinello
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011
872*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
2642009
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
1292006
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
1182014
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
1132006
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
932019
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
932015
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
792014
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
692013
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
682006
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
682005
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
652013
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
642011
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
572011
Linking well-tempered metadynamics simulations with experiments
A Barducci, M Bonomi, M Parrinello
Biophysical journal 98 (9), L44-L46, 2010
572010
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption
P De Los Rios, A Barducci
Elife 3, e02218, 2014
552014
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
472015
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
392017
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
382010
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Articles 1–20