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

Docking Result

CHEMBL2022515_dpp4

Atoms: 207
Models: 9
Best Energy: -7.162 kcal/mol

Binding Energies:
  • Pose 1: -7.162 kcal/mol
  • Pose 2: -6.91 kcal/mol
  • Pose 3: -6.769 kcal/mol
  • Pose 4: -6.768 kcal/mol
  • Pose 5: -6.721 kcal/mol
  • Pose 6: -6.697 kcal/mol
  • Pose 7: -6.59 kcal/mol
  • Pose 8: -6.536 kcal/mol
  • Pose 9: -6.496 kcal/mol
CHEMBL2022515_dpp4
Energy Plot
RMSD Scatter Plot