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. 2018 Jul 5;57(32):4934–4951. doi: 10.1021/acs.biochem.8b00524

Figure 13.

Figure 13

2D structures, code numbers, and energy scores (VDW + ES) for analogues constructed using de novo DOCK57 at one of the five refinement positions (R1–R5). Added functionalities, for each of the three representative examples at the five refinement sites, are highlighted in shaded ovals.