Figure 1: Molecular systems covered in this study. | Scientific Data

Figure 1: Molecular systems covered in this study.

From: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids

Figure 1

Top left and center: Schematic depiction of the backbone conformations of uncharged, zwitterionic, and dipeptide forms of the aminoacids considered in this work. Side chains are indicated by the letter R. Top right: Divalent ions considered for complexation with the 20 proteinogenic amino acids. Lower five rows: Side chains, including different protonation states where applicable, of the 20 proteinogenic amino acids considered in this work.

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