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

Docking Result

CHEMBL1650428_dpp4

Atoms: 306
Models: 9
Best Energy: -8.787 kcal/mol

Binding Energies:
  • Pose 1: -8.787 kcal/mol
  • Pose 2: -8.743 kcal/mol
  • Pose 3: -8.492 kcal/mol
  • Pose 4: -8.357 kcal/mol
  • Pose 5: -8.284 kcal/mol
  • Pose 6: -7.708 kcal/mol
  • Pose 7: -7.6 kcal/mol
  • Pose 8: -7.551 kcal/mol
  • Pose 9: -7.324 kcal/mol
CHEMBL1650428_dpp4
Energy Plot
RMSD Scatter Plot