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

Docking Result

CHEMBL1771583_dpp4

Atoms: 297
Models: 9
Best Energy: -10.065 kcal/mol

Binding Energies:
  • Pose 1: -10.065 kcal/mol
  • Pose 2: -10.01 kcal/mol
  • Pose 3: -9.804 kcal/mol
  • Pose 4: -9.787 kcal/mol
  • Pose 5: -9.634 kcal/mol
  • Pose 6: -9.604 kcal/mol
  • Pose 7: -9.532 kcal/mol
  • Pose 8: -9.517 kcal/mol
  • Pose 9: -9.376 kcal/mol
CHEMBL1771583_dpp4
Energy Plot
RMSD Scatter Plot