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Variational cross-validation of slow dynamical modes in molecular kinetics
Markov state models are a widely used method for approximating the eigenspectrum of the molecular dynamics propagator, yielding insight into the long-timescale statistical kinetics and slow dynamical modes of biomolecular systems. However, the lack of a unified theoretical framework for choosing bet...
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| Publicat a: | J Chem Phys |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4398134/ https://ncbi.nlm.nih.gov/pubmed/25833563 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4916292 |
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