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Diffusivity of α-, β-, γ-cyclodextrin and the inclusion complex of β-cyclodextrin: Ibuprofen in aqueous solutions; A molecular dynamics simulation study

Cyclodextrins (CDs) are widely used in drug delivery, catalysis, food and separation processes. In this work, a comprehensive simulation study on the diffusion of the native α-, β- and γ-CDs in aqueous solutions is carried out using Molecular Dynamics simulations. The effect of the system size on th...

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Xehetasun bibliografikoak
Argitaratua izan da:Fluid Phase Equilib
Egile Nagusiak: Erdős, Máté, Frangou, Michalis, Vlugt, Thijs J.H., Moultos, Othonas A.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: The Author(s). Published by Elsevier B.V. 2021
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC7529625/
https://ncbi.nlm.nih.gov/pubmed/33024350
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.fluid.2020.112842
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