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. 2019 Mar 28;59(4):1410–1421. doi: 10.1021/acs.jcim.8b00820

Figure 2.

Figure 2

Example of molecule reduction using ErG. At the top there is the original molecule and at the bottom the ErG representation. Ac: H-bond acceptor; Hf: hydrophobic group; Ar: aromatic ring system; +: positive charge. Colors are used to show how different parts of the original structure are reduced to nodes in the ErG.