Fig. 2From: CASTELO: clustered atom subtypes aided lead optimization—a combined machine learning and molecular modeling methodThe structure of sucrose bound T1R2 is shown in subplot a and b. The T1R2 structure is drawn in two colors (gray and blue) just to highlight its venus-flytrap-like structure. The detailed interactions between sucrose and its surrounding residues are depicted in b. The structures of the five sweeteners tested in this study are illustrated in cBack to article page