Figure 4
From: AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
RMSD (Å) between the AMMOS minimized and X-ray structures for the inhibitors retrieved for the ER and NA targets. A. Each point represents a single conformer minimized with case 1 (black), case 2 (grey); Triangles refer to the conformers with lowest energy after AMMOS minimization; B. All conformers are represented by points, with respectively black for case 3, grey for case 4 and white for case 5. Triangles refer to the conformers with lowest energy after AMMOS minimization.