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

Docking Result

CHEMBL461291_dpp4

Atoms: 135
Models: 9
Best Energy: -5.141 kcal/mol

Binding Energies:
  • Pose 1: -5.141 kcal/mol
  • Pose 2: -5.138 kcal/mol
  • Pose 3: -5.103 kcal/mol
  • Pose 4: -5.045 kcal/mol
  • Pose 5: -5.001 kcal/mol
  • Pose 6: -4.975 kcal/mol
  • Pose 7: -4.897 kcal/mol
  • Pose 8: -4.893 kcal/mol
  • Pose 9: -4.812 kcal/mol
CHEMBL461291_dpp4
Energy Plot
RMSD Scatter Plot