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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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Detalhes bibliográficos
Main Authors: Shityakov, Sergey, Förster, Carola
Formato: Artigo
Idioma:Inglês
Publicado em: Dove Medical Press 2014
Assuntos:
Acesso em linha: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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