Figure 2.

Benchmark TGFR1 virtual screen. Left panel, screenshot of the receiver operating characteristic (ROC) curve calculated using MolModa's Docking → Evaluate Performance… plugin. Middle panel, the crystallographic GW855857 pose (PDB 3HMM). Right panel, the MolModa-docked CHEMBL377711 pose. Both compounds place 6-methylpyridine groups and central bicyclic moieties at similar locations, lending credence to the accuracy of the docked pose. We created these images by importing MolModa-exported VRML files into the 3D modeling program Blender.