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. 2023 Feb 10;66(4):2773–2788. doi: 10.1021/acs.jmedchem.2c01837

Table 2. Relative Fraction [%] of Simulation Time Spent in Orientation A and B after Equilibration for CDPs 1–8 in Open Conformations.

CDP 1 2 3 4 5 6 7 8
orientation A 87 95 71 89 96 69 53 33
orientation B 13 5 29 11 4 31 47 67