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Alessandro Barducci
Alessandro Barducci
Centre de Biologie Structurale (CBS), Montpellier, France
Email confirmado em cbs.cnrs.fr
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Ano
Well-tempered metadynamics: a smoothly converging and tunable free-energy method
A Barducci, G Bussi, M Parrinello
Physical review letters 100 (2), 020603, 2008
27922008
Metadynamics
A Barducci, M Bonomi, M Parrinello
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011
1445*2011
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
6562019
Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics
M Bonomi, A Barducci, M Parrinello
Journal of computational chemistry 30 (11), 1615-1621, 2009
3682009
Molecular dissection of amyloid disaggregation by human HSP70
AS Wentink, NB Nillegoda, J Feufel, G Ubartaitė, CP Schneider, ...
Nature 587 (7834), 483-488, 2020
1832020
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
1672014
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
1622006
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
1462019
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
1362006
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
1262014
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
1252015
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
1002017
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
992013
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption
P De Los Rios, A Barducci
Elife 3, e02218, 2014
972014
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
952019
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
922020
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
862018
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
782006
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
772017
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
752013
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Artigos 1–20