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Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead
We derive structural and binding energy trends for twenty amino acids, their dipeptides, and their interactions with the divalent cations Ca(2+), Ba(2+), Sr(2+), Cd(2+), Pb(2+), and Hg(2+). The underlying data set consists of more than 45,000 first-principles predicted conformers with relative energ...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5093913/ https://www.ncbi.nlm.nih.gov/pubmed/27808109 http://dx.doi.org/10.1038/srep35772 |