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Force-Field Simulations of a Hydrated Lanreotide-Based Derivative: Hydration, Dynamics, and Numerical Evidence of Self-Assembly in Dimers

[Image: see text] Recently, self-organization of the cyclic octapeptide lanreotide and lanreotide-based derivatives in a nanotube to from a dimer structure has been experimentally evidenced. While the nature of the interactions between both monomers has been strongly investigated no molecular detail...

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Detalles Bibliográficos
Autores principales: Pinzan, Florian, Artzner, Franck, Ghoufi, Aziz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7542832/
https://www.ncbi.nlm.nih.gov/pubmed/33043222
http://dx.doi.org/10.1021/acsomega.0c03852