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

Docking Result

CHEMBL3704833_dpp4

Atoms: 216
Models: 9
Best Energy: -7.194 kcal/mol

Binding Energies:
  • Pose 1: -7.194 kcal/mol
  • Pose 2: -7.114 kcal/mol
  • Pose 3: -6.779 kcal/mol
  • Pose 4: -6.721 kcal/mol
  • Pose 5: -6.561 kcal/mol
  • Pose 6: -6.471 kcal/mol
  • Pose 7: -6.386 kcal/mol
  • Pose 8: -6.383 kcal/mol
  • Pose 9: -6.371 kcal/mol
CHEMBL3704833_dpp4
Energy Plot
RMSD Scatter Plot