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Calculation of absolute binding free energies between the hERG channel and structurally diverse drugs
The human ether-a-go-go-related gene (hERG) encodes a voltage-gated potassium channel that plays an essential role in the repolarization of action potentials in cardiac muscle. However, various drugs can block the ion current by binding to the hERG channel, resulting in potentially lethal cardiac ar...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6851376/ https://www.ncbi.nlm.nih.gov/pubmed/31719645 http://dx.doi.org/10.1038/s41598-019-53120-6 |