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A Steered Molecular Dynamics Study of Binding and Translocation Processes in the GABA Transporter

The entire substrate translocation pathway in the human GABA transporter (GAT-1) was explored for the endogenous substrate GABA and the anti-convulsive drug tiagabine. Following a steered molecular dynamics (SMD) approach, in which a harmonic restraining potential is applied to the ligand, dissociat...

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Detalles Bibliográficos
Autores principales:	Skovstrup, Søren, David, Laurent, Taboureau, Olivier, Jørgensen, Flemming Steen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3380839/ https://www.ncbi.nlm.nih.gov/pubmed/22737235 http://dx.doi.org/10.1371/journal.pone.0039360

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