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Cooperative Binding of Cyclodextrin Dimers to Isoflavone Analogues Elucidated by Free Energy Calculations

[Image: see text] Dimerization of cyclodextrin (CD) molecules is an elementary step in the construction of CD-based nanostructured materials. Cooperative binding of CD cavities to guest molecules facilitates the dimerization process and, consequently, the overall stability and assembly of CD nanostr...

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Detalles Bibliográficos
Autores principales: Zhang, Haiyang, Tan, Tianwei, Hetényi, Csaba, Lv, Yongqin, van der Spoel, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3977494/
https://www.ncbi.nlm.nih.gov/pubmed/24719673
http://dx.doi.org/10.1021/jp412041d