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Identification of kinetic order parameters for non-equilibrium dynamics

A popular approach to analyze the dynamics of high-dimensional many-body systems, such as macromolecules, is to project the trajectories onto a space of slowly varying collective variables, where subsequent analyses are made, such as clustering or estimation of free energy profiles or Markov state m...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Paul, Fabian, Wu, Hao, Vossel, Maximilian, de Groot, Bert L., Noé, Frank
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6486394/
https://ncbi.nlm.nih.gov/pubmed/31042914
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5083627
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