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

Docking Result

CHEMBL2385297_dpp4

Atoms: 252
Models: 9
Best Energy: -9.023 kcal/mol

Binding Energies:
  • Pose 1: -9.023 kcal/mol
  • Pose 2: -8.948 kcal/mol
  • Pose 3: -8.941 kcal/mol
  • Pose 4: -8.758 kcal/mol
  • Pose 5: -8.739 kcal/mol
  • Pose 6: -8.671 kcal/mol
  • Pose 7: -8.554 kcal/mol
  • Pose 8: -8.549 kcal/mol
  • Pose 9: -8.514 kcal/mol
CHEMBL2385297_dpp4
Energy Plot
RMSD Scatter Plot