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
15112008
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
2542009
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
1272006
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
1162014
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
1112006
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
882015
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
762014
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
682013
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
672005
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
642013
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
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
632006
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
572019
Linking well-tempered metadynamics simulations with experiments
A Barducci, M Bonomi, M Parrinello
Biophysical journal 98 (9), L44-L46, 2010
552010
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
542011
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption
P De Los Rios, A Barducci
Elife 3, e02218, 2014
522014
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
462015
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
372010
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
332013
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Articles 1–20