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What Markov state models can and cannot do: Correlation versus path-based observables in protein folding models
Markov state models (MSMs) have been widely applied to study the kinetics and pathways of protein conformational dynamics based on statistical analysis of molecular dynamics (MD) simulations. These MSMs coarse-grain both configuration space and time in ways that limit what kinds of observables they...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8127341/ https://ncbi.nlm.nih.gov/pubmed/33904312 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01154 |
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