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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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Detalles Bibliográficos
Autores principales: Sirin, Gulseher Sarah, Zhang, Yingkai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4183371/
https://www.ncbi.nlm.nih.gov/pubmed/24786171
http://dx.doi.org/10.1021/jp502712d