DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3806179_dpp4

Atoms: 270
Models: 9
Best Energy: -9.039 kcal/mol

Binding Energies:
  • Pose 1: -9.039 kcal/mol
  • Pose 2: -8.717 kcal/mol
  • Pose 3: -8.709 kcal/mol
  • Pose 4: -8.642 kcal/mol
  • Pose 5: -8.499 kcal/mol
  • Pose 6: -8.484 kcal/mol
  • Pose 7: -8.313 kcal/mol
  • Pose 8: -8.218 kcal/mol
  • Pose 9: -8.16 kcal/mol
CHEMBL3806179_dpp4
Energy Plot
RMSD Scatter Plot