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

Docking Result

CHEMBL2058972_dpp4

Atoms: 270
Models: 9
Best Energy: -8.132 kcal/mol

Binding Energies:
  • Pose 1: -8.132 kcal/mol
  • Pose 2: -8.074 kcal/mol
  • Pose 3: -7.742 kcal/mol
  • Pose 4: -7.666 kcal/mol
  • Pose 5: -7.659 kcal/mol
  • Pose 6: -7.555 kcal/mol
  • Pose 7: -7.534 kcal/mol
  • Pose 8: -7.495 kcal/mol
  • Pose 9: -7.462 kcal/mol
CHEMBL2058972_dpp4
Energy Plot
RMSD Scatter Plot