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

Docking Result

CHEMBL3897118_dpp4

Atoms: 351
Models: 9
Best Energy: -8.683 kcal/mol

Binding Energies:
  • Pose 1: -8.683 kcal/mol
  • Pose 2: -8.552 kcal/mol
  • Pose 3: -8.12 kcal/mol
  • Pose 4: -8.005 kcal/mol
  • Pose 5: -7.848 kcal/mol
  • Pose 6: -7.844 kcal/mol
  • Pose 7: -7.714 kcal/mol
  • Pose 8: -7.704 kcal/mol
  • Pose 9: -7.496 kcal/mol
CHEMBL3897118_dpp4
Energy Plot
RMSD Scatter Plot