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Journal of Chemical Theory and Computation|February 24, 2022
Computing Rates and Understanding Unbinding Mechanisms in Host-Guest SystemsJayashrita Debnath, Michele ParrinelloJournal of Chemical Theory and Computation|August 16, 2023
Kinetics from Metadynamics: Principles, Applications, and OutlookDhiman Ray, Michele ParrinelloChirality|May 28, 2011
A quantitative measure of chirality inside nucleic acid databankAdriana Pietropaolo, Michele ParrinelloThe Journal of Physical Chemistry. A|January 15, 2015
Combustion chemistry via metadynamics: benzyl decomposition revisitedDaniela Polino, Michele ParrinelloPhysical Review Letters|January 13, 2019
Silicon Liquid Structure and Crystal Nucleation from Ab Initio Deep MetadynamicsLuigi Bonati, Michele ParrinelloJournal of Chemical Theory and Computation|March 2, 2019
Making the Best of a Bad Situation: A Multiscale Approach to Free Energy CalculationMichele Invernizzi, Michele ParrinelloPhysical Review Letters|January 31, 2014
From metadynamics to dynamicsPratyush Tiwary, Michele ParrinelloProceedings 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 ParrinelloPageof 27