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

Docking Result

CHEMBL3972474_dpp4

Atoms: 234
Models: 9
Best Energy: -8.272 kcal/mol

Binding Energies:
  • Pose 1: -8.272 kcal/mol
  • Pose 2: -8.179 kcal/mol
  • Pose 3: -8.074 kcal/mol
  • Pose 4: -8.02 kcal/mol
  • Pose 5: -7.994 kcal/mol
  • Pose 6: -7.742 kcal/mol
  • Pose 7: -7.712 kcal/mol
  • Pose 8: -7.685 kcal/mol
  • Pose 9: -7.594 kcal/mol
CHEMBL3972474_dpp4
Energy Plot
RMSD Scatter Plot