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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...
Autores principales: | Borrego-Sánchez, Ana, Debnath, Jayashrita, Parrinello, Michele |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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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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