Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail

Several factors affect the passive membrane permeation of small molecules, including size, charge, pH, or the presence of specific chemical groups. Understanding these features is paramount to identifying or designing drug candidates with optimal ADMET properties and this can be achieved through exp...

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Detalles Bibliográficos
Autores principales: Gomes, André M.M., Costa, Paulo J., Machuqueiro, Miguel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10477461/
https://www.ncbi.nlm.nih.gov/pubmed/37675199
http://dx.doi.org/10.1016/j.bbadva.2023.100099

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10477461/
https://www.ncbi.nlm.nih.gov/pubmed/37675199
http://dx.doi.org/10.1016/j.bbadva.2023.100099

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