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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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Bibliografiske detaljer
Main Authors: Henriksen, Niel M., Hayatshahi, Hamed S., Davis, Darrell R., Cheatham, Thomas E.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2014
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4076022/
https://ncbi.nlm.nih.gov/pubmed/24835734
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500132c
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