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

Docking Result

CHEMBL2024671_dpp4

Atoms: 225
Models: 9
Best Energy: -8.482 kcal/mol

Binding Energies:
  • Pose 1: -8.482 kcal/mol
  • Pose 2: -7.873 kcal/mol
  • Pose 3: -7.733 kcal/mol
  • Pose 4: -7.673 kcal/mol
  • Pose 5: -7.575 kcal/mol
  • Pose 6: -7.56 kcal/mol
  • Pose 7: -7.534 kcal/mol
  • Pose 8: -7.51 kcal/mol
  • Pose 9: -7.402 kcal/mol
CHEMBL2024671_dpp4
Energy Plot
RMSD Scatter Plot