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

Docking Result

CHEMBL3687979_dpp4

Atoms: 297
Models: 9
Best Energy: -8.291 kcal/mol

Binding Energies:
  • Pose 1: -8.291 kcal/mol
  • Pose 2: -8.166 kcal/mol
  • Pose 3: -7.854 kcal/mol
  • Pose 4: -7.762 kcal/mol
  • Pose 5: -7.735 kcal/mol
  • Pose 6: -7.608 kcal/mol
  • Pose 7: -7.551 kcal/mol
  • Pose 8: -7.419 kcal/mol
  • Pose 9: -7.378 kcal/mol
CHEMBL3687979_dpp4
Energy Plot
RMSD Scatter Plot