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

Docking Result

CHEMBL4795875_dpp4

Atoms: 405
Models: 9
Best Energy: -8.798 kcal/mol

Binding Energies:
  • Pose 1: -8.798 kcal/mol
  • Pose 2: -8.759 kcal/mol
  • Pose 3: -8.674 kcal/mol
  • Pose 4: -8.647 kcal/mol
  • Pose 5: -8.637 kcal/mol
  • Pose 6: -8.627 kcal/mol
  • Pose 7: -8.563 kcal/mol
  • Pose 8: -8.44 kcal/mol
  • Pose 9: -8.407 kcal/mol
CHEMBL4795875_dpp4
Energy Plot
RMSD Scatter Plot