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

Docking Result

CHEMBL3644799_dpp4

Atoms: 315
Models: 9
Best Energy: -7.983 kcal/mol

Binding Energies:
  • Pose 1: -7.983 kcal/mol
  • Pose 2: -7.953 kcal/mol
  • Pose 3: -7.883 kcal/mol
  • Pose 4: -7.789 kcal/mol
  • Pose 5: -7.785 kcal/mol
  • Pose 6: -7.598 kcal/mol
  • Pose 7: -7.576 kcal/mol
  • Pose 8: -7.536 kcal/mol
  • Pose 9: -7.473 kcal/mol
CHEMBL3644799_dpp4
Energy Plot
RMSD Scatter Plot