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

Docking Result

CHEMBL228004_dpp4

Atoms: 270
Models: 9
Best Energy: -8.033 kcal/mol

Binding Energies:
  • Pose 1: -8.033 kcal/mol
  • Pose 2: -7.794 kcal/mol
  • Pose 3: -7.693 kcal/mol
  • Pose 4: -7.573 kcal/mol
  • Pose 5: -7.56 kcal/mol
  • Pose 6: -7.551 kcal/mol
  • Pose 7: -7.503 kcal/mol
  • Pose 8: -7.446 kcal/mol
  • Pose 9: -7.344 kcal/mol
CHEMBL228004_dpp4
Energy Plot
RMSD Scatter Plot