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

Docking Result

CHEMBL377749_dpp4

Atoms: 243
Models: 9
Best Energy: -7.576 kcal/mol

Binding Energies:
  • Pose 1: -7.576 kcal/mol
  • Pose 2: -7.499 kcal/mol
  • Pose 3: -7.487 kcal/mol
  • Pose 4: -7.377 kcal/mol
  • Pose 5: -7.368 kcal/mol
  • Pose 6: -7.28 kcal/mol
  • Pose 7: -7.273 kcal/mol
  • Pose 8: -7.253 kcal/mol
  • Pose 9: -7.13 kcal/mol
CHEMBL377749_dpp4
Energy Plot
RMSD Scatter Plot