Cargando…
Molecular View into the Cyclodextrin Cavity: Structure and Hydration
[Image: see text] We find, through atomistic molecular dynamics simulation of native cyclodextrins (CDs) in water, that although the outer surface of a CD appears like a truncated cone, the inner cavity resembles a conical hourglass because of the inward protrusion of the glycosidic oxygens. Further...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7557249/ https://www.ncbi.nlm.nih.gov/pubmed/33073091 http://dx.doi.org/10.1021/acsomega.0c02760 |