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First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids
We present a structural data set of the 20 proteinogenic amino acids and their amino-methylated and acetylated (capped) dipeptides. Different protonation states of the backbone (uncharged and zwitterionic) were considered for the amino acids as well as varied side chain protonation states. Furthermo...
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| Publicado en: | Sci Data |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Publishing Group
2016
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4755128/ https://ncbi.nlm.nih.gov/pubmed/26881946 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/sdata.2016.9 |
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