Llwytho...

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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Sci Data
Prif Awduron: Ropo, Matti, Schneider, Markus, Baldauf, Carsten, Blum, Volker
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Nature Publishing Group 2016
Pynciau:
Mynediad Ar-lein: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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