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Alessandro Barducci
Alessandro Barducci
Centre de Biologie Structurale (CBS), Montpellier, France
Email verificata su cbs.cnrs.fr
Titolo
Citata da
Citata da
Anno
Well-tempered metadynamics: a smoothly converging and tunable free-energy method
A Barducci, G Bussi, M Parrinello
Physical review letters 100 (2), 020603, 2008
20352008
Metadynamics
A Barducci, M Bonomi, M Parrinello
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 826-843, 2011
1070*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
3062009
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
2872019
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
1442006
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
1402014
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
1202006
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
1052015
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
1002014
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
812013
Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption
P De Los Rios, A Barducci
Elife 3, e02218, 2014
752014
Molecular dissection of amyloid disaggregation by human HSP70
AS Wentink, NB Nillegoda, J Feufel, G Ubartaitė, CP Schneider, ...
Nature 587 (7834), 483-488, 2020
732020
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
722013
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
712006
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
712005
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
702019
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
692019
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
672011
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
662011
Linking well-tempered metadynamics simulations with experiments
A Barducci, M Bonomi, M Parrinello
Biophysical journal 98 (9), L44-L46, 2010
632010
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20