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

Docking Result

CHEMBL3650433_dpp4

Atoms: 270
Models: 9
Best Energy: -8.982 kcal/mol

Binding Energies:
  • Pose 1: -8.982 kcal/mol
  • Pose 2: -8.273 kcal/mol
  • Pose 3: -8.089 kcal/mol
  • Pose 4: -8.074 kcal/mol
  • Pose 5: -7.976 kcal/mol
  • Pose 6: -7.965 kcal/mol
  • Pose 7: -7.61 kcal/mol
  • Pose 8: -7.56 kcal/mol
  • Pose 9: -7.297 kcal/mol
CHEMBL3650433_dpp4
Energy Plot
RMSD Scatter Plot