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

Docking Result

CHEMBL453582_dpp4

Atoms: 261
Models: 9
Best Energy: -9.277 kcal/mol

Binding Energies:
  • Pose 1: -9.277 kcal/mol
  • Pose 2: -8.786 kcal/mol
  • Pose 3: -8.633 kcal/mol
  • Pose 4: -8.394 kcal/mol
  • Pose 5: -8.384 kcal/mol
  • Pose 6: -8.232 kcal/mol
  • Pose 7: -8.227 kcal/mol
  • Pose 8: -8.215 kcal/mol
  • Pose 9: -8.14 kcal/mol
CHEMBL453582_dpp4
Energy Plot
RMSD Scatter Plot