Fig. 5
From: A reliable computational workflow for the selection of optimal screening libraries
a Kalydeco structure. b Kalydeco fitted to its pharmacophore model. Purple, green, cyan, and blue colors represent H-bond donor, H-bond acceptor, hydrophobic-aromatic and hydrophobic-aliphatic features, respectively. c Kalydeco’s substructure used for substructure-based similarity analysis, where x represents one of the following atoms: nitrogen, oxygen, sulfur, aliphatic carbon or aromatic carbon