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

Docking Result

CHEMBL2425078_dpp4

Atoms: 234
Models: 9
Best Energy: -8.402 kcal/mol

Binding Energies:
  • Pose 1: -8.402 kcal/mol
  • Pose 2: -7.939 kcal/mol
  • Pose 3: -7.877 kcal/mol
  • Pose 4: -7.839 kcal/mol
  • Pose 5: -7.71 kcal/mol
  • Pose 6: -7.446 kcal/mol
  • Pose 7: -7.334 kcal/mol
  • Pose 8: -7.141 kcal/mol
  • Pose 9: -7.053 kcal/mol
CHEMBL2425078_dpp4
Energy Plot
RMSD Scatter Plot