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

Docking Result

CHEMBL461117_dpp4

Atoms: 162
Models: 9
Best Energy: -5.881 kcal/mol

Binding Energies:
  • Pose 1: -5.881 kcal/mol
  • Pose 2: -5.878 kcal/mol
  • Pose 3: -5.756 kcal/mol
  • Pose 4: -5.75 kcal/mol
  • Pose 5: -5.676 kcal/mol
  • Pose 6: -5.53 kcal/mol
  • Pose 7: -5.472 kcal/mol
  • Pose 8: -5.459 kcal/mol
  • Pose 9: -5.429 kcal/mol
CHEMBL461117_dpp4
Energy Plot
RMSD Scatter Plot