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The pipeline used for docking peptides to GPCRs. The main stages of the docking procedure include STAGE 1: generation of a large number (100 K) of low energy receptor–peptide complex models resulting from 10 independent CABS-dock simulations; STAGE 2: reconstruction to all-atom representation of 100 top selected models using PD2 [21] and STAGE 3: model refinement and scoring using Rosetta FlexPepDock [22, 23].
