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

Docking Result

CHEMBL6013719_dpp4

Atoms: 243
Models: 9
Best Energy: -9.252 kcal/mol

Binding Energies:
  • Pose 1: -9.252 kcal/mol
  • Pose 2: -8.557 kcal/mol
  • Pose 3: -7.949 kcal/mol
  • Pose 4: -7.941 kcal/mol
  • Pose 5: -7.938 kcal/mol
  • Pose 6: -7.824 kcal/mol
  • Pose 7: -7.7 kcal/mol
  • Pose 8: -7.628 kcal/mol
  • Pose 9: -7.574 kcal/mol
CHEMBL6013719_dpp4
Energy Plot
RMSD Scatter Plot