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

Docking Result

CHEMBL6160472_dpp4

Atoms: 288
Models: 9
Best Energy: -8.335 kcal/mol

Binding Energies:
  • Pose 1: -8.335 kcal/mol
  • Pose 2: -8.041 kcal/mol
  • Pose 3: -7.981 kcal/mol
  • Pose 4: -7.651 kcal/mol
  • Pose 5: -7.586 kcal/mol
  • Pose 6: -7.314 kcal/mol
  • Pose 7: -7.253 kcal/mol
  • Pose 8: -7.252 kcal/mol
  • Pose 9: -7.218 kcal/mol
CHEMBL6160472_dpp4
Energy Plot
RMSD Scatter Plot