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

Docking Result

CHEMBL565101_dpp4

Atoms: 288
Models: 9
Best Energy: -8.779 kcal/mol

Binding Energies:
  • Pose 1: -8.779 kcal/mol
  • Pose 2: -8.02 kcal/mol
  • Pose 3: -7.907 kcal/mol
  • Pose 4: -7.741 kcal/mol
  • Pose 5: -7.708 kcal/mol
  • Pose 6: -7.685 kcal/mol
  • Pose 7: -7.594 kcal/mol
  • Pose 8: -7.581 kcal/mol
  • Pose 9: -7.576 kcal/mol
CHEMBL565101_dpp4
Energy Plot
RMSD Scatter Plot