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

Docking Result

CHEMBL3704835_dpp4

Atoms: 225
Models: 9
Best Energy: -7.181 kcal/mol

Binding Energies:
  • Pose 1: -7.181 kcal/mol
  • Pose 2: -6.899 kcal/mol
  • Pose 3: -6.778 kcal/mol
  • Pose 4: -6.644 kcal/mol
  • Pose 5: -6.615 kcal/mol
  • Pose 6: -6.576 kcal/mol
  • Pose 7: -6.477 kcal/mol
  • Pose 8: -6.399 kcal/mol
  • Pose 9: -6.262 kcal/mol
CHEMBL3704835_dpp4
Energy Plot
RMSD Scatter Plot