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

Docking Result

CHEMBL401057_dpp4

Atoms: 288
Models: 9
Best Energy: -8.552 kcal/mol

Binding Energies:
  • Pose 1: -8.552 kcal/mol
  • Pose 2: -7.878 kcal/mol
  • Pose 3: -7.805 kcal/mol
  • Pose 4: -7.792 kcal/mol
  • Pose 5: -7.73 kcal/mol
  • Pose 6: -7.685 kcal/mol
  • Pose 7: -7.685 kcal/mol
  • Pose 8: -7.68 kcal/mol
  • Pose 9: -7.604 kcal/mol
CHEMBL401057_dpp4
Energy Plot
RMSD Scatter Plot