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

Docking Result

CHEMBL3084956_dpp4

Atoms: 279
Models: 9
Best Energy: -7.61 kcal/mol

Binding Energies:
  • Pose 1: -7.61 kcal/mol
  • Pose 2: -7.593 kcal/mol
  • Pose 3: -7.507 kcal/mol
  • Pose 4: -7.392 kcal/mol
  • Pose 5: -7.359 kcal/mol
  • Pose 6: -7.34 kcal/mol
  • Pose 7: -7.335 kcal/mol
  • Pose 8: -7.313 kcal/mol
  • Pose 9: -7.281 kcal/mol
CHEMBL3084956_dpp4
Energy Plot
RMSD Scatter Plot