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Role of Displacing Confined Solvent in the Conformational Equilibrium of β‑Cyclodextrin

This study investigates the role of hydration and its relationship to the conformational equilibrium of the host molecule β-cyclodextrin. Molecular dynamics simulations indicate that the unbound β-cyclodextrin exhibits two state behavior in explicit solvent due to the opening and closing of its cavi...

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Détails bibliographiques
Publié dans:J Phys Chem B
Auteurs principaux: He, Peng, Sarkar, Sheila, Gallicchio, Emilio, Kurtzman, Tom, Wickstrom, Lauren
Format: Artigo
Langue:Inglês
Publié: 2019
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7226916/
https://ncbi.nlm.nih.gov/pubmed/31509409
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.9b07028
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