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

Docking Result

CHEMBL470681_dpp4

Atoms: 207
Models: 9
Best Energy: -5.419 kcal/mol

Binding Energies:
  • Pose 1: -5.419 kcal/mol
  • Pose 2: -5.134 kcal/mol
  • Pose 3: -4.883 kcal/mol
  • Pose 4: -4.72 kcal/mol
  • Pose 5: -4.503 kcal/mol
  • Pose 6: -4.482 kcal/mol
  • Pose 7: -4.454 kcal/mol
  • Pose 8: -4.318 kcal/mol
  • Pose 9: -4.314 kcal/mol
CHEMBL470681_dpp4
Energy Plot
RMSD Scatter Plot