Suivre
Alessandro Barducci
Alessandro Barducci
Centre de Biologie Structurale (CBS), Montpellier, France
Adresse e-mail validée de cbs.cnrs.fr
Titre
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Année
Well-tempered metadynamics: a smoothly converging and tunable free-energy method
A Barducci, G Bussi, M Parrinello
Physical review letters 100 (2), 020603, 2008
30562008
Metadynamics
A Barducci, M Bonomi, M Parrinello
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011
1582*2011
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8122019
Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics
M Bonomi, A Barducci, M Parrinello
Journal of computational chemistry 30 (11), 1615-1621, 2009
3942009
Molecular dissection of amyloid disaggregation by human HSP70
AS Wentink, NB Nillegoda, J Feufel, G Ubartaitė, CP Schneider, ...
Nature 587 (7834), 483-488, 2020
2112020
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
1702006
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
1672019
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
1662014
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
1422006
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
1322015
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
1302014
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
1132017
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
1122020
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
1082019
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption
P De Los Rios, A Barducci
Elife 3, e02218, 2014
1042014
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
1002013
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
942018
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
822006
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
812017
Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex
J Gruszczyk, L Grandvuillemin, J Lai-Kee-Him, M Paloni, CG Savva, ...
Nature communications 13 (1), 7010, 2022
792022
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