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

Docking Result

CHEMBL3616919_dpp4

Atoms: 351
Models: 9
Best Energy: -8.781 kcal/mol

Binding Energies:
  • Pose 1: -8.781 kcal/mol
  • Pose 2: -8.74 kcal/mol
  • Pose 3: -8.649 kcal/mol
  • Pose 4: -8.619 kcal/mol
  • Pose 5: -8.58 kcal/mol
  • Pose 6: -8.451 kcal/mol
  • Pose 7: -8.386 kcal/mol
  • Pose 8: -8.38 kcal/mol
  • Pose 9: -8.291 kcal/mol
CHEMBL3616919_dpp4
Energy Plot
RMSD Scatter Plot