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

Docking Result

CHEMBL4784857_dpp4

Atoms: 405
Models: 9
Best Energy: -9.271 kcal/mol

Binding Energies:
  • Pose 1: -9.271 kcal/mol
  • Pose 2: -9.053 kcal/mol
  • Pose 3: -8.741 kcal/mol
  • Pose 4: -8.735 kcal/mol
  • Pose 5: -8.729 kcal/mol
  • Pose 6: -8.665 kcal/mol
  • Pose 7: -8.62 kcal/mol
  • Pose 8: -8.531 kcal/mol
  • Pose 9: -8.484 kcal/mol
CHEMBL4784857_dpp4
Energy Plot
RMSD Scatter Plot