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

Docking Result

CHEMBL216878_dpp4

Atoms: 288
Models: 9
Best Energy: -8.073 kcal/mol

Binding Energies:
  • Pose 1: -8.073 kcal/mol
  • Pose 2: -8.048 kcal/mol
  • Pose 3: -8.031 kcal/mol
  • Pose 4: -8.007 kcal/mol
  • Pose 5: -7.883 kcal/mol
  • Pose 6: -7.791 kcal/mol
  • Pose 7: -7.758 kcal/mol
  • Pose 8: -7.691 kcal/mol
  • Pose 9: -7.661 kcal/mol
CHEMBL216878_dpp4
Energy Plot
RMSD Scatter Plot