Fabio Pietrucci
Researcher Next ID · RN-029074
Researcher · Biochemistry, Genetics and Molecular Biology
Paris, Luxembourg
- Works count
- 154
- Citation count
- 7,425
- H-index
- 40
- i10-index
- 77
Research interests
Publications
Machine learning force fields and coarse-grained variables in molecular\n dynamics: application to materials and biological systems
arXiv (Cornell University) · 2020 · https://doi.org/10.48550/arxiv.2004.06950
Promoting transparency and reproducibility in enhanced molecular simulations
Nature Methods · 2019 · https://doi.org/10.1038/s41592-019-0506-8
Strategies for the exploration of free energy landscapes: Unity in diversity and challenges ahead
Reviews in Physics · 2017 · https://doi.org/10.1016/j.revip.2017.05.001
Formation of nucleobases in a Miller–Urey reducing atmosphere
Proceedings of the National Academy of Sciences · 2017 · https://doi.org/10.1073/pnas.1700010114
Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios
Proceedings of the National Academy of Sciences · 2015 · https://doi.org/10.1073/pnas.1512486112
Graph Theory MeetsAb InitioMolecular Dynamics: Atomic Structures and Transformations at the Nanoscale
Physical Review Letters · 2011 · https://doi.org/10.1103/physrevlett.107.085504
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1
Journal of Chemical Theory and Computation · 2009 · https://doi.org/10.1021/ct900202f
A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations
PLoS Computational Biology · 2009 · 10.1371/journal.pcbi.1000452
Substrate Binding Mechanism of HIV-1 Protease from Explicit-Solvent Atomistic Simulations
Journal of the American Chemical Society · 2009 · https://doi.org/10.1021/ja903045y
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Computer Physics Communications · 2009 · https://doi.org/10.1016/j.cpc.2009.05.011
Ab initio study of the vibrational properties of crystalline TeO 2 : The α , β , and γ phases
Physical Review B · 2006 · https://doi.org/10.1103/physrevb.73.104304
Current projects
No projects listed.