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

Docking Result

CHEMBL2425082_dpp4

Atoms: 234
Models: 9
Best Energy: -7.532 kcal/mol

Binding Energies:
  • Pose 1: -7.532 kcal/mol
  • Pose 2: -7.478 kcal/mol
  • Pose 3: -7.298 kcal/mol
  • Pose 4: -7.225 kcal/mol
  • Pose 5: -6.991 kcal/mol
  • Pose 6: -6.917 kcal/mol
  • Pose 7: -6.915 kcal/mol
  • Pose 8: -6.832 kcal/mol
  • Pose 9: -6.729 kcal/mol
CHEMBL2425082_dpp4
Energy Plot
RMSD Scatter Plot