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

Docking Result

CHEMBL3310987_dpp4

Atoms: 279
Models: 9
Best Energy: -7.736 kcal/mol

Binding Energies:
  • Pose 1: -7.736 kcal/mol
  • Pose 2: -7.589 kcal/mol
  • Pose 3: -7.458 kcal/mol
  • Pose 4: -7.393 kcal/mol
  • Pose 5: -7.28 kcal/mol
  • Pose 6: -7.137 kcal/mol
  • Pose 7: -7.129 kcal/mol
  • Pose 8: -7.092 kcal/mol
  • Pose 9: -6.896 kcal/mol
CHEMBL3310987_dpp4
Energy Plot
RMSD Scatter Plot