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Structural Insight into Exosite Binding and Discovery of Novel Exosite Inhibitors of Botulinum Neurotoxin Serotype A Through in silico Screening

Botulinum neurotoxin serotype A (BoNT/A) is the most lethal toxin among the Tier 1 Select Agents. Development of potent and selective small molecule inhibitors against BoNT/A zinc metalloprotease remains a challenging problem due to its exceptionally large substrate binding surface and conformationa...

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Detalhes bibliográficos
Main Authors: Hu, Xin, Legler, Patricia M., Southall, Noel, Maloney, David J., Simeonov, Anton, Jadhav, Ajit
Formato: Artigo
Idioma:Inglês
Publicado em: 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4138512/
https://ncbi.nlm.nih.gov/pubmed/24958623
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9758-7
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