Alessandro Barducci
Alessandro Barducci
Centre de Biologie Structurale (CBS), 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
18512008
Metadynamics
A Barducci, M Bonomi, M Parrinello
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011
977*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
2852009
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi
Nature methods 16 (8), 670-673, 2019
1832019
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
1382006
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
1312014
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
1172006
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
1022015
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
882014
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
752013
Crooks equation for steered molecular dynamics using a NosÚ-Hoover thermostat
P Procacci, S Marsili, A Barducci, GF Signorini, R Chelli
The Journal of chemical physics 125 (16), 164101, 2006
702006
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
662013
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption
P De Los Rios, A Barducci
Elife 3, e02218, 2014
652014
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
652011
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
632011
Linking well-tempered metadynamics simulations with experiments
A Barducci, M Bonomi, M Parrinello
Biophysical journal 98 (9), L44-L46, 2010
602010
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
562019
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
522015
Function, evolution, and structure of J-domain proteins
HH Kampinga, C Andreasson, A Barducci, ME Cheetham, D Cyr, ...
Cell Stress and Chaperones 24 (1), 7-15, 2019
502019
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Articles 1–20