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Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations
Hv1 is a voltage-gated proton channel whose main function is to facilitate extrusion of protons from the cell. The development of effective channel blockers for Hv1 can lead to new therapeutics for the treatment of maladies related to Hv1 dysfunction. Although the mechanism of proton permeation in H...
| 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/PMC7423955/ https://www.ncbi.nlm.nih.gov/pubmed/32788614 http://dx.doi.org/10.1038/s41598-020-70369-4 |