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All-Atom MD Simulations of the HBV Capsid Complexed with AT130 Reveal Secondary and Tertiary Structural Changes and Mechanisms of Allostery

The hepatitis B virus (HBV) capsid is an attractive drug target, relevant to combating viral hepatitis as a major public health concern. Among small molecules known to interfere with capsid assembly, the phenylpropenamides, including AT130, represent an important antiviral paradigm based on disrupti...

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Detalles Bibliográficos
Autores principales:	Pérez-Segura, Carolina, Goh, Boon Chong, Hadden-Perilla, Jodi A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8065791/ https://www.ncbi.nlm.nih.gov/pubmed/33810481 http://dx.doi.org/10.3390/v13040564

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