A molecular dynamics simulation study on the propensity of Asn-Gly-containing heptapeptides towards β-turn structures: Comparison with ab initio quantum mechanical calculations
Fig 2
Dihedral angle principal component analysis.
Diagrams illustrating the free energy landscape of each heptapeptide along the top two principal components, as obtained by the dihedral angle Principal Component Analysis (blue peaks correspond to high density regions). Shown with numbers are the different clusters derived by the dPCA analysis.