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Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations
The permeation of small-molecule drugs across a phospholipid membrane bears much interest both in the pharmaceutical sciences and in physical chemistry. Connecting the chemistry of the drug and the lipids to the resulting thermodynamic properties remains of immediate importance. Here we report molec...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7018832/ https://www.ncbi.nlm.nih.gov/pubmed/32054852 http://dx.doi.org/10.1038/s41597-020-0391-0 |