Fig. 5From: AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimizationExample ligand poses and structures. Select protein residues are shown in colored sticks representation (top row). Common substructures are highlighted in blue, yellow, and pink (bottom row). a The crystallographic olaparib pose (PDB: 5DS3), aligned and superimposed on the 4R6E:A structure for comparison’s sake (blue ribbon). b CEP-9722 docked into the 4R6E:A structure. c Compound 5, derived from olaparib and CEP-9722 fragments, docked into the 4R6E:A structureBack to article page