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Kinetics of Drug Release from Clay Using Enhanced Sampling Methods

A key step in the development of a new drug, is the design of drug–excipient complexes that lead to optimal drug release kinetics. Computational chemistry and specifically enhanced sampling molecular dynamics methods can play a key role in this context, by minimizing the need for expensive experimen...

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Detalles Bibliográficos
Autores principales: Borrego-Sánchez, Ana, Debnath, Jayashrita, Parrinello, Michele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9781022/
https://www.ncbi.nlm.nih.gov/pubmed/36559081
http://dx.doi.org/10.3390/pharmaceutics14122586

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