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

Docking Result

CHEMBL3654430_dpp4

Atoms: 315
Models: 9
Best Energy: -6.373 kcal/mol

Binding Energies:
  • Pose 1: -6.373 kcal/mol
  • Pose 2: -6.141 kcal/mol
  • Pose 3: -6.119 kcal/mol
  • Pose 4: -6.071 kcal/mol
  • Pose 5: -5.845 kcal/mol
  • Pose 6: -5.684 kcal/mol
  • Pose 7: -5.668 kcal/mol
  • Pose 8: -5.667 kcal/mol
  • Pose 9: -5.549 kcal/mol
CHEMBL3654430_dpp4
Energy Plot
RMSD Scatter Plot