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Fragment-based design of small molecule PCSK9 inhibitors using simulated annealing of chemical potential simulations

PCSK9 is a protein secreted by the liver that binds to the low-density lipoprotein receptor (LDLR), causing LDLR internalization, decreasing the clearance of circulating LDL particles. Mutations in PCSK9 that strengthen its interactions with LDLR result in familial hypercholesterolemia (FH) and earl...

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Detalles Bibliográficos
Autores principales: Guarnieri, Frank, Kulp, John L., Cloudsdale, Ian S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6894869/
https://www.ncbi.nlm.nih.gov/pubmed/31805108
http://dx.doi.org/10.1371/journal.pone.0225780