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Design of semaglutide analogues with improved GLP-1R ECD affinity: a dynamic structural electrostatic perspective First, PDB entry 4ZGM [29, 52] was used as the template for structural modeling by Modeller [44] and ligand-receptor binding affinity calculations by Prodigy [4547], where a total of 10000 ligand-receptor K d values were generated with a statistical analysis in Figure 2 as the baseline for the design of semaglutide analogues with improved GLP-1R ECD affinity
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