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

Docking Result

CHEMBL3644464_dpp4

Atoms: 243
Models: 9
Best Energy: -7.564 kcal/mol

Binding Energies:
  • Pose 1: -7.564 kcal/mol
  • Pose 2: -7.394 kcal/mol
  • Pose 3: -7.079 kcal/mol
  • Pose 4: -7.023 kcal/mol
  • Pose 5: -6.87 kcal/mol
  • Pose 6: -6.743 kcal/mol
  • Pose 7: -6.709 kcal/mol
  • Pose 8: -6.609 kcal/mol
  • Pose 9: -6.585 kcal/mol
CHEMBL3644464_dpp4
Energy Plot
RMSD Scatter Plot