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Theoretical Study of the β-Cyclodextrin Inclusion Complex Formation of Eugenol in Water

The interaction between eugenol and β-cyclodextrin in the presence of water is studied by molecular mechanics and dynamics simulations. A force field model is used in molecular mechanics to determine the interaction energy and the complex configuration at the absolute minimum. The van der Waals term...

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Detalles Bibliográficos
Autor principal: Alvira, Elena
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017285/
https://www.ncbi.nlm.nih.gov/pubmed/29673173
http://dx.doi.org/10.3390/molecules23040928