Multisecond ligand dissociation dynamics from atomistic simulations

Coarse-graining of fully atomistic molecular dynamics simulations is a long-standing goal in order to allow the description of processes occurring on biologically relevant timescales. For example, the prediction of pathways, rates and rate-limiting steps in protein-ligand unbinding is crucial for mo...

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Detalles Bibliográficos
Autores principales: Wolf, Steffen, Lickert, Benjamin, Bray, Simon, Stock, Gerhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7286908/
https://www.ncbi.nlm.nih.gov/pubmed/32522984
http://dx.doi.org/10.1038/s41467-020-16655-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7286908/
https://www.ncbi.nlm.nih.gov/pubmed/32522984
http://dx.doi.org/10.1038/s41467-020-16655-1

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