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Proceedings of the National Academy of Sciences of the United States of America|February 27, 2024
Data-driven classification of ligand unbinding pathwaysDhiman Ray, Michele ParrinelloThe Journal of Chemical Physics|December 3, 2017
A variational conformational dynamics approach to the selection of collective variables in metadynamicsJames McCarty, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|September 25, 2002
Escaping free-energy minimaAlessandro Laio, Michele ParrinelloThe Journal of Physical Chemistry. B|July 22, 2014
A time-independent free energy estimator for metadynamicsPratyush Tiwary, Michele ParrinelloJournal of Chemical Theory and Computation|November 24, 2015
Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered EnsembleOmar Valsson, Michele ParrinelloThe Journal of Physical Chemistry Letters|March 20, 2020
Rethinking Metadynamics: From Bias Potentials to Probability DistributionsMichele Invernizzi, Michele ParrinelloThe Journal of Physical Chemistry. B|July 10, 2019
Kinetics of Aqueous Media Reactions via Ab Initio Enhanced Molecular Dynamics: The Case of Urea DecompositionDaniela Polino, Michele ParrinelloThe Journal of Physical Chemistry Letters|September 1, 2021
From Enhanced Sampling to Reaction ProfilesEnrico Trizio, Michele ParrinelloThe Journal of Physical Chemistry Letters|June 9, 2020
Gaussian Mixture-Based Enhanced Sampling for Statics and DynamicsJayashrita Debnath, Michele ParrinelloThe Journal of Physical Chemistry Letters|June 28, 2019
Accurate Quantum Chemical Free Energies at Affordable CostGiovanniMaria Piccini, Michele ParrinelloPageof 28