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. 2020 Dec 3;60(12):6298–6313. doi: 10.1021/acs.jcim.0c01038

Figure 4.

Figure 4

(A) Box plot of span RoG for each method and (B) example of a cyclic octapeptide61 in its globular (lowest RoG) and flat-like conformations (highest RoG) with intramolecular hydrogen bonds predicted with Moloc (red dotted lines).