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

Docking Result

CHEMBL2069847_dpp4

Atoms: 270
Models: 9
Best Energy: -8.011 kcal/mol

Binding Energies:
  • Pose 1: -8.011 kcal/mol
  • Pose 2: -7.89 kcal/mol
  • Pose 3: -7.832 kcal/mol
  • Pose 4: -7.741 kcal/mol
  • Pose 5: -7.737 kcal/mol
  • Pose 6: -7.646 kcal/mol
  • Pose 7: -7.551 kcal/mol
  • Pose 8: -7.476 kcal/mol
  • Pose 9: -7.403 kcal/mol
CHEMBL2069847_dpp4
Energy Plot
RMSD Scatter Plot