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Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations
2-Hydroxypropyl-β-cyclodextrin (HPβCD) has unique properties to enhance the stability and the solubility of low water-soluble compounds by inclusion complexation. An understanding of the structural properties of HPβCD and its derivatives, based on the number of 2-hydroxypropyl (HP) substituents at t...
Autores principales: | Kerdpol, Khanittha, Kicuntod, Jintawee, Wolschann, Peter, Mori, Seiji, Rungnim, Chompoonut, Kunaseth, Manaschai, Okumura, Hisashi, Kungwan, Nawee, Rungrotmongkol, Thanyada |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6401915/ https://www.ncbi.nlm.nih.gov/pubmed/30960130 http://dx.doi.org/10.3390/polym11010145 |
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