Cargando…
pH-Dependent Protonation of the Phl p 6 Pollen Allergen Studied by NMR and cpH-aMD
[Image: see text] We use state-of-the-art NMR experiments to measure apparent pK(a) values in the native protein environment and employ a cutting-edge combination of enhanced sampling and constant pH molecular dynamics (MD) simulations to rationalize strong pK(a) shifts. The major timothy grass poll...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6994067/ https://www.ncbi.nlm.nih.gov/pubmed/31476118 http://dx.doi.org/10.1021/acs.jctc.9b00540 |