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

Docking Result

CHEMBL3093900_dpp4

Atoms: 198
Models: 9
Best Energy: -7.119 kcal/mol

Binding Energies:
  • Pose 1: -7.119 kcal/mol
  • Pose 2: -7.091 kcal/mol
  • Pose 3: -7.063 kcal/mol
  • Pose 4: -6.96 kcal/mol
  • Pose 5: -6.951 kcal/mol
  • Pose 6: -6.949 kcal/mol
  • Pose 7: -6.913 kcal/mol
  • Pose 8: -6.881 kcal/mol
  • Pose 9: -6.833 kcal/mol
CHEMBL3093900_dpp4
Energy Plot
RMSD Scatter Plot