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

Docking Result

CHEMBL3687977_dpp4

Atoms: 324
Models: 9
Best Energy: -8.937 kcal/mol

Binding Energies:
  • Pose 1: -8.937 kcal/mol
  • Pose 2: -8.666 kcal/mol
  • Pose 3: -7.978 kcal/mol
  • Pose 4: -7.909 kcal/mol
  • Pose 5: -7.649 kcal/mol
  • Pose 6: -7.643 kcal/mol
  • Pose 7: -7.594 kcal/mol
  • Pose 8: -7.564 kcal/mol
  • Pose 9: -7.291 kcal/mol
CHEMBL3687977_dpp4
Energy Plot
RMSD Scatter Plot