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

Docking Result

CHEMBL2425060_dpp4

Atoms: 279
Models: 9
Best Energy: -9.195 kcal/mol

Binding Energies:
  • Pose 1: -9.195 kcal/mol
  • Pose 2: -8.341 kcal/mol
  • Pose 3: -8.292 kcal/mol
  • Pose 4: -7.974 kcal/mol
  • Pose 5: -7.881 kcal/mol
  • Pose 6: -7.754 kcal/mol
  • Pose 7: -7.714 kcal/mol
  • Pose 8: -7.683 kcal/mol
  • Pose 9: -7.671 kcal/mol
CHEMBL2425060_dpp4
Energy Plot
RMSD Scatter Plot