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

Docking Result

CHEMBL3236114_dpp4

Atoms: 279
Models: 9
Best Energy: -9.237 kcal/mol

Binding Energies:
  • Pose 1: -9.237 kcal/mol
  • Pose 2: -9.111 kcal/mol
  • Pose 3: -9.053 kcal/mol
  • Pose 4: -8.939 kcal/mol
  • Pose 5: -8.735 kcal/mol
  • Pose 6: -8.631 kcal/mol
  • Pose 7: -8.444 kcal/mol
  • Pose 8: -8.387 kcal/mol
  • Pose 9: -8.349 kcal/mol
CHEMBL3236114_dpp4
Energy Plot
RMSD Scatter Plot