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How Is Acetylcholinesterase Phosphonylated by Soman? An Ab Initio QM/MM Molecular Dynamics Study

[Image: see text] Acetylcholinesterase (AChE) is a crucial enzyme in the cholinergic nerve system that hydrolyzes acetylcholine (ACh) and terminates synaptic signals by reducing the effective concentration of ACh in the synaptic clefts. Organophosphate compounds irreversibly inhibit AChEs, leading t...

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Detalhes bibliográficos
Main Authors: Sirin, Gulseher Sarah, Zhang, Yingkai
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4183371/
https://ncbi.nlm.nih.gov/pubmed/24786171
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp502712d
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