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

Docking Result

CHEMBL2347038_dpp4

Atoms: 315
Models: 9
Best Energy: -8.322 kcal/mol

Binding Energies:
  • Pose 1: -8.322 kcal/mol
  • Pose 2: -8.225 kcal/mol
  • Pose 3: -8.109 kcal/mol
  • Pose 4: -8.022 kcal/mol
  • Pose 5: -7.954 kcal/mol
  • Pose 6: -7.95 kcal/mol
  • Pose 7: -7.842 kcal/mol
  • Pose 8: -7.814 kcal/mol
  • Pose 9: -7.765 kcal/mol
CHEMBL2347038_dpp4
Energy Plot
RMSD Scatter Plot