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Fig. 7 | Journal of Cheminformatics

Fig. 7

From: Mapping and classifying molecules from a high-throughput structural database

Fig. 7

This figure compares the homogeneity of clusters from the protonated lysine dipeptide (a) and the bare lysine uncapped (b) with respect to properties of their elements. The homogeneity of a cluster is probed using the standard deviation with respect to the distance between each cluster elements, \({{\upsigma }}_D\), and the conformational energy, \({{\upsigma }}_E\). The outliers of uncapped lysine (b) were manually highlighted in orange

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