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In silico predictive model to determine vector-mediated transport properties for the blood–brain barrier choline transporter

The blood–brain barrier choline transporter (BBB-ChT) may have utility as a drug delivery vector to the central nervous system (CNS). We therefore initiated molecular docking studies with the AutoDock and AutoDock Vina (ADVina) algorithms to develop predictive models for compound screening and to id...

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Hlavní autoři: Shityakov, Sergey, Förster, Carola
Médium: Artigo
Jazyk:Inglês
Vydáno: Dove Medical Press 2014
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4159400/
https://ncbi.nlm.nih.gov/pubmed/25214795
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2147/AABC.S63749
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