Figure 8
From: Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes
Exemplary comparison of YASARA, Protonate 3D and Protoss predictions on two complex structures from the Astex Set (PDB codes 1n46 and 2br1). Hydrogen bonds are depicted as green dashed lines. Undesirable contacts are indicated by red arrows. The frame coloring corresponds to the classification depicted in Figure 7.