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Fabio Pietrucci
Fabio Pietrucci
associate professor (maître de conférences, HDR), Sorbonne Université
Bestätigte E-Mail-Adresse bei sorbonne-universite.fr - Startseite
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Zitiert von
Zitiert von
Jahr
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ...
Computer Physics Communications 180 (10), 1961-1972, 2009
18652009
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
8112019
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations
F Marinelli, F Pietrucci, A Laio, S Piana
PLoS computational biology 5 (8), e1000452, 2009
3292009
A collective variable for the efficient exploration of protein beta-sheet structures: Application to SH3 and GB1
F Pietrucci, A Laio
Journal of Chemical Theory and Computation 5, 2197, 2009
1912009
Formation of nucleobases in a Miller–Urey reducing atmosphere
M Ferus, F Pietrucci, AM Saitta, A Knížek, P Kubelík, O Ivanek, ...
Proceedings of the National Academy of Sciences 114 (17), 4306-4311, 2017
1892017
Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems
P Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ...
Journal of Chemical Theory and Computation 16 (8), 4757-4775, 2020
1882020
Ab initio study of the vibrational properties of crystalline TeO 2: The α, β, and γ phases
M Ceriotti, F Pietrucci, M Bernasconi
Physical Review B 73 (10), 104304, 2006
1852006
Strategies for the exploration of free energy landscapes: unity in diversity and challenges ahead
F Pietrucci
Reviews in Physics 2, 32-45, 2017
1772017
Graph theory meets ab initio molecular dynamics: Atomic structures and transformations at the nanoscale
F Pietrucci, W Andreoni
Physical Review Letters 107 (8), 085504, 2011
1732011
Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulations
F Pietrucci, F Marinelli, P Carloni, A Laio
Journal of the American Chemical Society 131, 11811, 2009
1692009
Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios
F Pietrucci, AM Saitta
Proceedings of the National Academy of Sciences 112 (49), 15030-15035, 2015
1482015
Metadynamics convergence law in a multidimensional system
Y Crespo, F Marinelli, F Pietrucci, A Laio
Physical Review E 81 (5), 055701, 2010
1082010
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO 2 from first principles
F Pietrucci, M Bernasconi, A Laio, M Parrinello
Physical Review B 78 (9), 094301, 2008
1032008
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations
X Biarnés, F Pietrucci, F Marinelli, A Laio
Computer Physics Communications 183 (1), 203-211, 2012
982012
Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail
F Baftizadeh, X Biarnes, F Pietrucci, F Affinito, A Laio
Journal of the American Chemical Society 134 (8), 3886-3894, 2012
952012
Ab initio study of yttria-stabilized cubic zirconia surfaces
G Ballabio, M Bernasconi, F Pietrucci, S Serra
Physical Review B 70 (7), 075417, 2004
802004
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation
M Fitzner, GC Sosso, F Pietrucci, S Pipolo, A Michaelides
Nature communications 8 (1), 2257, 2017
772017
Capture and Release of CO2 in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction Dynamics
C Ma, F Pietrucci, W Andreoni
Journal of chemical theory and computation 11 (7), 3189-3198, 2015
772015
Exploring the universe of protein structures beyond the Protein Data Bank
P Cossio, A Trovato, F Pietrucci, F Seno, A Maritan, A Laio
PLoS computational biology 6 (11), e1000957, 2010
772010
TeO 2 glass properties from first principles
F Pietrucci, S Caravati, M Bernasconi
Physical Review B 78 (6), 064203, 2008
732008
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