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Deep learning to decompose macromolecules into independent Markovian domains

The increasing interest in modeling the dynamics of ever larger proteins has revealed a fundamental problem with models that describe the molecular system as being in a global configuration state. This notion limits our ability to gather sufficient statistics of state probabilities or state-to-state...

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Detalles Bibliográficos
Autores principales: Mardt, Andreas, Hempel, Tim, Clementi, Cecilia, Noé, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9675806/
https://www.ncbi.nlm.nih.gov/pubmed/36402768
http://dx.doi.org/10.1038/s41467-022-34603-z