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Exploring substrate binding in the extracellular vestibule of MhsT by atomistic simulations and Markov models

Neurotransmitter:sodium symporters (NSS) terminate neurotransmission through Na(+)-driven reuptake of cognate neurotransmitters. Crystallographically, whereas both substrates and inhibitors have been found to bind in the central binding (S1) site of NSS, inhibitors were found to bind to a second bin...

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Pubblicato in:J Chem Inf Model
Autori principali: Abramyan, Ara M., Quick, Matthias, Xue, Catherine, Javitch, Jonathan A., Shi, Lei
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2018
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6159221/
https://ncbi.nlm.nih.gov/pubmed/29851339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00175
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