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Define the pathways governing dopamine transporter dynamics and their relevance to disease.

BPS2026 – Pathway characterization of the dopamine tranposter via milestoning of targeted molecular dynamics

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Define the pathways governing dopamine transporter dynamics and their relevance to disease.
Used targeted molecular dynamics to map conformational states of the dopamine transporter (DAT).
Employed milestoning and kinetic modeling techniques.
Analyzed the coupling of ion coordination to gate rearrangements.
identified dominant pathways and metastable intermediates of the DAT.
quantified tight coupling between ion coordination and conformational transitions.
provided a framework for interpreting the effects of disease-linked mutations on DAT.

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Kinetic modeling reveals tight coupling of ion coordination and transitions in dopamine transporter, suggesting implications for drug design.

Mohamed et al. (2026) studied this question.

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Kinetic modeling reveals tight coupling of ion coordination and transitions in dopamine transporter, suggesting implications for drug design.