Cargando…
Better force fields start with better data: A data set of cation dipeptide interactions
We present a data set from a first-principles study of amino-methylated and acetylated (capped) dipeptides of the 20 proteinogenic amino acids – including alternative possible side chain protonation states and their interactions with selected divalent cations (Ca(2+), Mg(2+) and Ba(2+)). The data co...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9205945/ https://www.ncbi.nlm.nih.gov/pubmed/35715420 http://dx.doi.org/10.1038/s41597-022-01297-3 |