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Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail
[Image: see text] We provide a molecular-level description of the thermodynamics and mechanistic aspects of drug permeation through the cell membrane. As a case study, we considered the antimalaria FDA approved drug chloroquine. Molecular dynamics simulations of the molecule (in its neutral and prot...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10685453/ https://www.ncbi.nlm.nih.gov/pubmed/37947485 http://dx.doi.org/10.1021/acs.jcim.3c01363 |