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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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| Publicado no: | Nat Commun |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7286908/ https://ncbi.nlm.nih.gov/pubmed/32522984 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-16655-1 |
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