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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...
Shranjeno v:
| izdano v: | ACS Omega |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
American Chemical Society
2020
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| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7557249/ https://ncbi.nlm.nih.gov/pubmed/33073091 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c02760 |
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