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

Docking Result

CHEMBL3970322_dpp4

Atoms: 369
Models: 9
Best Energy: -9.276 kcal/mol

Binding Energies:
  • Pose 1: -9.276 kcal/mol
  • Pose 2: -9.16 kcal/mol
  • Pose 3: -9.157 kcal/mol
  • Pose 4: -8.712 kcal/mol
  • Pose 5: -8.394 kcal/mol
  • Pose 6: -8.316 kcal/mol
  • Pose 7: -8.303 kcal/mol
  • Pose 8: -8.178 kcal/mol
  • Pose 9: -8.152 kcal/mol
CHEMBL3970322_dpp4
Energy Plot
RMSD Scatter Plot