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The Journal of Physical Chemistry Letters|May 8, 2018
Collective Variables from Local FluctuationsDan Mendels, GiovanniMaria Piccini, Michele Parrinello
The Journal of Physical Chemistry Letters|August 23, 2017
Identifying Slow Molecular Motions in Complex Chemical ReactionsGiovanniMaria Piccini, Daniela Polino, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America|February 16, 2019
Microscopic description of acid-base equilibriumEmanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Journal of Chemical Theory and Computation|August 29, 2020
Tautomeric Equilibrium in Condensed PhasesEmanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America|October 28, 2021
Deep learning the slow modes for rare events samplingLuigi Bonati, GiovanniMaria Piccini, Michele Parrinello
Journal of Chemical Theory and Computation|September 18, 2018
Metadynamics with Discriminants: A Tool for Understanding ChemistryGiovanniMaria Piccini, Dan Mendels, Michele Parrinello
Journal of the American Chemical Society|February 8, 2023
Supramolecular Capsule-Catalyzed Highly β-Selective Furanosylation Independent of the SN1/SN2 Reaction PathwayTian-Ren Li, GiovanniMaria Piccini, Konrad Tiefenbacher
Physical Chemistry Chemical Physics : PCCP|August 28, 2019
The reaction mechanism of the azide-alkyne Huisgen cycloadditionMartina Danese, Marta Bon, GiovanniMaria Piccini, et al.
Organic & Biomolecular Chemistry|April 28, 2021
Understanding the binding properties of phosphorylated glycoluril-derived molecular tweezers and selective nanomolar binding of natural polyamines in aqueous solutionMichael Heilmann, Melina Knezevic, GiovanniMaria Piccini, et al.
Journal of the American Chemical Society|February 8, 2020
Requirements for Terpene Cyclizations inside the Supramolecular Resorcinarene Capsule: Bound Water and Its Protonation Determine the Catalytic ActivitySeverin Merget, Lorenzo Catti, GiovanniMaria Piccini, et al.
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