Showing results (41-50 of 78) with videos related to
Sort By:
Pageof 8
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-CO<sub>2</sub> 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 <i>Ab Initio</i> 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