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. Author manuscript; available in PMC: 2022 Jul 13.
Published in final edited form as: J Am Soc Mass Spectrom. 2022 Apr 4;33(5):750–759. doi: 10.1021/jasms.1c00315

Figure 4.

Figure 4.

Unsupervised clustering of carnosine (model 4) by AutoGraph. Twelve different colors represent the 12 cluster regions (Left). Low to high energies (ANI-1ccx potential) are represented by blue to red, respectively, and the relative energy value is in kcal mol−1 (right). Figure generated with the Gephi software.