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

Docking Result

CHEMBL3616900_dpp4

Atoms: 306
Models: 9
Best Energy: -8.438 kcal/mol

Binding Energies:
  • Pose 1: -8.438 kcal/mol
  • Pose 2: -8.316 kcal/mol
  • Pose 3: -8.268 kcal/mol
  • Pose 4: -8.165 kcal/mol
  • Pose 5: -8.034 kcal/mol
  • Pose 6: -7.862 kcal/mol
  • Pose 7: -7.733 kcal/mol
  • Pose 8: -7.658 kcal/mol
  • Pose 9: -7.531 kcal/mol
CHEMBL3616900_dpp4
Energy Plot
RMSD Scatter Plot