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Non-covalent interactions between sertraline stereoisomers and 2-hydroxypropyl-β-cyclodextrin: a quantum chemistry analysis

Inclusion compounds formed between sertraline stereoisomers and β-cyclodextrin, and 2-hydroxypropyl-β-cyclodextrin, were analyzed by using quantum chemistry methods. The exploration of the potential energy surface was performed using chemical intuition and classical molecular mechanics. This approac...

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Detalles Bibliográficos
Autores principales:	Bautista-Renedo, Joanatan-Michael, Cuevas-Yañez, Erick, Reyes-Pérez, Horacio, Vargas, Rubicelia, Garza, Jorge, González-Rivas, Nelly
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054229/ https://www.ncbi.nlm.nih.gov/pubmed/35520401 http://dx.doi.org/10.1039/c9ra10218c

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