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

Docking Result

CHEMBL5555335_dpp4

Atoms: 486
Models: 9
Best Energy: -9.661 kcal/mol

Binding Energies:
  • Pose 1: -9.661 kcal/mol
  • Pose 2: -9.248 kcal/mol
  • Pose 3: -8.953 kcal/mol
  • Pose 4: -8.838 kcal/mol
  • Pose 5: -8.828 kcal/mol
  • Pose 6: -8.683 kcal/mol
  • Pose 7: -8.667 kcal/mol
  • Pose 8: -8.457 kcal/mol
  • Pose 9: -8.439 kcal/mol
CHEMBL5555335_dpp4
Energy Plot
RMSD Scatter Plot