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

Docking Result

CHEMBL3330066_dpp4

Atoms: 225
Models: 9
Best Energy: -8.076 kcal/mol

Binding Energies:
  • Pose 1: -8.076 kcal/mol
  • Pose 2: -7.623 kcal/mol
  • Pose 3: -7.617 kcal/mol
  • Pose 4: -7.53 kcal/mol
  • Pose 5: -7.53 kcal/mol
  • Pose 6: -7.524 kcal/mol
  • Pose 7: -7.464 kcal/mol
  • Pose 8: -7.215 kcal/mol
  • Pose 9: -7.207 kcal/mol
CHEMBL3330066_dpp4
Energy Plot
RMSD Scatter Plot