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

Docking Result

CHEMBL3616902_dpp4

Atoms: 306
Models: 9
Best Energy: -8.489 kcal/mol

Binding Energies:
  • Pose 1: -8.489 kcal/mol
  • Pose 2: -8.371 kcal/mol
  • Pose 3: -8.063 kcal/mol
  • Pose 4: -8.041 kcal/mol
  • Pose 5: -7.9 kcal/mol
  • Pose 6: -7.707 kcal/mol
  • Pose 7: -7.675 kcal/mol
  • Pose 8: -7.64 kcal/mol
  • Pose 9: -7.487 kcal/mol
CHEMBL3616902_dpp4
Energy Plot
RMSD Scatter Plot