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Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations

[Image: see text] Despite the many biological functions of RNA, very few drugs have been designed or found to target RNA. Here we report the results of molecular dynamics (MD) simulations and binding energy analyses on hepatitis C virus internal ribosome entry site (IRES) RNA in complex with highly...

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Detalles Bibliográficos
Autores principales: Henriksen, Niel M., Hayatshahi, Hamed S., Davis, Darrell R., Cheatham, Thomas E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4076022/
https://www.ncbi.nlm.nih.gov/pubmed/24835734
http://dx.doi.org/10.1021/ci500132c