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Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor, Facilitated by Its Strong Partitioning in Membrane

We utilize various computational methodologies to study menthol’s interaction with multiple organic phases, a lipid bilayer, and the human α4β2 nicotinic acetylcholine receptor (nAChR) — the most abundant nAChR in the brain. First, force field parameters developed for menthol are validated in alchem...

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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Shahoei, Rezvan, Tajkhorshid, Emad
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7094167/
https://ncbi.nlm.nih.gov/pubmed/32048843
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.9b10092
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