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

Docking Result

CHEMBL498749_dpp4

Atoms: 288
Models: 9
Best Energy: -9.63 kcal/mol

Binding Energies:
  • Pose 1: -9.63 kcal/mol
  • Pose 2: -9.207 kcal/mol
  • Pose 3: -9.048 kcal/mol
  • Pose 4: -8.737 kcal/mol
  • Pose 5: -8.716 kcal/mol
  • Pose 6: -8.679 kcal/mol
  • Pose 7: -8.614 kcal/mol
  • Pose 8: -8.516 kcal/mol
  • Pose 9: -8.457 kcal/mol
CHEMBL498749_dpp4
Energy Plot
RMSD Scatter Plot