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

Docking Result

CHEMBL3687978_dpp4

Atoms: 297
Models: 9
Best Energy: -8.428 kcal/mol

Binding Energies:
  • Pose 1: -8.428 kcal/mol
  • Pose 2: -8.405 kcal/mol
  • Pose 3: -8.207 kcal/mol
  • Pose 4: -7.956 kcal/mol
  • Pose 5: -7.81 kcal/mol
  • Pose 6: -7.738 kcal/mol
  • Pose 7: -7.657 kcal/mol
  • Pose 8: -7.649 kcal/mol
  • Pose 9: -7.592 kcal/mol
CHEMBL3687978_dpp4
Energy Plot
RMSD Scatter Plot