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

Docking Result

CHEMBL3084937_dpp4

Atoms: 315
Models: 9
Best Energy: -8.249 kcal/mol

Binding Energies:
  • Pose 1: -8.249 kcal/mol
  • Pose 2: -7.66 kcal/mol
  • Pose 3: -7.531 kcal/mol
  • Pose 4: -7.45 kcal/mol
  • Pose 5: -7.315 kcal/mol
  • Pose 6: -7.274 kcal/mol
  • Pose 7: -7.251 kcal/mol
  • Pose 8: -7.212 kcal/mol
  • Pose 9: -7.081 kcal/mol
CHEMBL3084937_dpp4
Energy Plot
RMSD Scatter Plot