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

Docking Result

CHEMBL1688422_dpp4

Atoms: 243
Models: 9
Best Energy: -8.284 kcal/mol

Binding Energies:
  • Pose 1: -8.284 kcal/mol
  • Pose 2: -8.094 kcal/mol
  • Pose 3: -7.834 kcal/mol
  • Pose 4: -7.779 kcal/mol
  • Pose 5: -7.71 kcal/mol
  • Pose 6: -7.67 kcal/mol
  • Pose 7: -7.56 kcal/mol
  • Pose 8: -7.543 kcal/mol
  • Pose 9: -7.533 kcal/mol
CHEMBL1688422_dpp4
Energy Plot
RMSD Scatter Plot