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

Docking Result

CHEMBL178433_dpp4

Atoms: 180
Models: 9
Best Energy: -7.037 kcal/mol

Binding Energies:
  • Pose 1: -7.037 kcal/mol
  • Pose 2: -6.848 kcal/mol
  • Pose 3: -6.824 kcal/mol
  • Pose 4: -6.721 kcal/mol
  • Pose 5: -6.681 kcal/mol
  • Pose 6: -6.615 kcal/mol
  • Pose 7: -6.471 kcal/mol
  • Pose 8: -6.449 kcal/mol
  • Pose 9: -6.426 kcal/mol
CHEMBL178433_dpp4
Energy Plot
RMSD Scatter Plot