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The Journal of Physical Chemistry Letters|May 30, 2023
Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine-Cytosine Base PairFederica Angiolari, Simon Huppert, Fabio Pietrucci, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 28, 2010
Metadynamics convergence law in a multidimensional systemYanier Crespo, Fabrizio Marinelli, Fabio Pietrucci, et al.Journal of the American Chemical Society|August 4, 2009
Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulationsFabio Pietrucci, Fabrizio Marinelli, Paolo Carloni, et al.The Journal of Physical Chemistry. B|April 22, 2021
Stability of a Monoethanolamine-CO2 Zwitterion at the Vapor/Liquid Water Interface: Implications for Low Partial Pressure Carbon Capture TechnologiesAlessandro Sinopoli, Ahmed Abotaleb, Fabio Pietrucci, et al.Physical Review Letters|May 18, 2013
Nucleation process of a fibril precursor in the C-terminal segment of amyloid-βFahimeh Baftizadeh, Fabio Pietrucci, Xevi Biarnés, et al.The Journal of Chemical Physics|October 26, 2023
Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin modelsDavid Daniel Girardier, Hadrien Vroylandt, Sara Bonella, et al.Journal of Chemical Theory and Computation|August 5, 2022
Combining Machine Learning Approaches and Accurate Ab Initio Enhanced Sampling Methods for Prebiotic Chemical Reactions in SolutionTimothée Devergne, Théo Magrino, Fabio Pietrucci, et al.The Journal of Physical Chemistry. A|November 17, 2022
Critical Assessment of Data-Driven versus Heuristic Reaction Coordinates in Solution ChemistryThéo Magrino, Léon Huet, A Marco Saitta, et al.Physical Review Letters|March 20, 2026
Correcting Systematic Parametrization Errors in Underdamped Langevin Models of Molecular Dynamics TrajectoriesDavid Daniel Girardier, Hadrien Vroylandt, Sara Bonella, et al.Physical Review. E|October 19, 2024
Efficient machine learning approach for accurate free-energy profiles and kinetic ratesTimothée Devergne, Leon Huet, Fabio Pietrucci, et al.Pageof 8