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

Docking Result

CHEMBL171290_dpp4

Atoms: 297
Models: 9
Best Energy: -7.653 kcal/mol

Binding Energies:
  • Pose 1: -7.653 kcal/mol
  • Pose 2: -7.594 kcal/mol
  • Pose 3: -7.534 kcal/mol
  • Pose 4: -7.53 kcal/mol
  • Pose 5: -7.467 kcal/mol
  • Pose 6: -7.453 kcal/mol
  • Pose 7: -7.406 kcal/mol
  • Pose 8: -7.404 kcal/mol
  • Pose 9: -7.28 kcal/mol
CHEMBL171290_dpp4
Energy Plot
RMSD Scatter Plot