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Sodium-induced population shift drives activation of thrombin
The equilibrium between active E and inactive E* forms of thrombin is assumed to be governed by the allosteric binding of a Na(+) ion. Here we use molecular dynamics simulations and Markov state models to sample transitions between active and inactive states. With these calculations we are able to c...
Gardado en:
| Publicado en: | Sci Rep |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Publishing Group UK
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6978324/ https://ncbi.nlm.nih.gov/pubmed/31974511 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-57822-0 |
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