Caricamento...

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...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Pubblicato in:J Chem Phys
Autori principali: McGibbon, Robert T., Pande, Vijay S.
Natura: Artigo
Lingua:Inglês
Pubblicazione: AIP Publishing LLC 2015
Soggetti:
Accesso online: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
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !