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

Docking Result

CHEMBL3329696_dpp4

Atoms: 270
Models: 9
Best Energy: -8.164 kcal/mol

Binding Energies:
  • Pose 1: -8.164 kcal/mol
  • Pose 2: -7.994 kcal/mol
  • Pose 3: -7.682 kcal/mol
  • Pose 4: -7.676 kcal/mol
  • Pose 5: -7.52 kcal/mol
  • Pose 6: -7.111 kcal/mol
  • Pose 7: -7.037 kcal/mol
  • Pose 8: -6.968 kcal/mol
  • Pose 9: -6.96 kcal/mol
CHEMBL3329696_dpp4
Energy Plot
RMSD Scatter Plot