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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...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6851376/ https://ncbi.nlm.nih.gov/pubmed/31719645 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-53120-6 |
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