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

Docking Result

CHEMBL145_dpp4

Atoms: 144
Models: 9
Best Energy: -6.142 kcal/mol

Binding Energies:
  • Pose 1: -6.142 kcal/mol
  • Pose 2: -5.848 kcal/mol
  • Pose 3: -5.829 kcal/mol
  • Pose 4: -5.637 kcal/mol
  • Pose 5: -5.628 kcal/mol
  • Pose 6: -5.621 kcal/mol
  • Pose 7: -5.611 kcal/mol
  • Pose 8: -5.589 kcal/mol
  • Pose 9: -5.557 kcal/mol
CHEMBL145_dpp4
Energy Plot
RMSD Scatter Plot