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Dynamic graphical models of molecular kinetics

Most current molecular dynamics simulation and analysis methods rely on the idea that the molecular system can be represented by a single global state (e.g., a Markov state in a Markov state model [MSM]). In this approach, molecules can be extensively sampled and analyzed when they only possess a fe...

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Detalles Bibliográficos
Publicado en:Proc Natl Acad Sci U S A
Autores principales: Olsson, Simon, Noé, Frank
Formato: Artigo
Lenguaje:Inglês
Publicado: National Academy of Sciences 2019
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC6660760/
https://ncbi.nlm.nih.gov/pubmed/31285323
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1901692116
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