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Journal of Chemical Theory and Computation|May 2, 2018
Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced SamplingYi Isaac Yang, Michele ParrinelloJournal of Chemical Theory and Computation|April 28, 2026
Water Phase Diagram from a General-Purpose Atomic Cluster Expansion PotentialEslam Ibrahim, Yury Lysogorskiy, Ralf Drautz, et al.The Journal of Physical Chemistry. B|December 10, 2021
A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded StatesGül H Zerze, Pablo M Piaggi, Pablo G DebenedettiThe Journal of Physical Chemistry Letters|September 23, 2021
Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference PotentialsAndrea Rizzi, Paolo Carloni, Michele ParrinelloInorganic Chemistry|September 24, 2002
Protonation state of the equatorial ligands and dynamics of the OH...O units in a cobaloxime biomimeticCarme Rovira, Karel Kunc, Michele ParrinelloNature Communications|September 16, 2022
Water regulates the residence time of Benzamidine in TrypsinNarjes Ansari, Valerio Rizzi, Michele ParrinelloJournal of Chemical Theory and Computation|June 20, 2020
Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics SimulationsNarjes Ansari, Tarak Karmakar, Michele ParrinelloPhysical Review Letters|September 3, 2021
Liquid-Liquid Critical Point in PhosphorusManyi Yang, Tarak Karmakar, Michele ParrinelloPhysical Review Letters|February 1, 2008
Well-tempered metadynamics: a smoothly converging and tunable free-energy methodAlessandro Barducci, Giovanni Bussi, Michele ParrinelloPhysical Review Letters|October 10, 2006
Freezing of a Lennard-Jones fluid: from nucleation to spinodal regimeFederica Trudu, Davide Donadio, Michele ParrinelloPageof 28