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Skin permeability prediction with MD simulation sampling spatial and alchemical reaction coordinates

A molecular-level understanding of skin permeation may rationalize and streamline product development, and improve quality and control, of transdermal and topical drug delivery systems. It may also facilitate toxicity and safety assessment of cosmetics and skin care products. Here, we present new mo...

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Detalles Bibliográficos
Autores principales: Lundborg, Magnus, Wennberg, Christian, Lidmar, Jack, Hess, Berk, Lindahl, Erik, Norlén, Lars
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Biophysical Society 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9674988/
https://www.ncbi.nlm.nih.gov/pubmed/36104960
http://dx.doi.org/10.1016/j.bpj.2022.09.009