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

Docking Result

CHEMBL4782382_dpp4

Atoms: 405
Models: 9
Best Energy: -9.644 kcal/mol

Binding Energies:
  • Pose 1: -9.644 kcal/mol
  • Pose 2: -9.197 kcal/mol
  • Pose 3: -9.146 kcal/mol
  • Pose 4: -9.079 kcal/mol
  • Pose 5: -9.049 kcal/mol
  • Pose 6: -9.026 kcal/mol
  • Pose 7: -8.92 kcal/mol
  • Pose 8: -8.83 kcal/mol
  • Pose 9: -8.818 kcal/mol
CHEMBL4782382_dpp4
Energy Plot
RMSD Scatter Plot