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

Docking Result

CHEMBL416787_dpp4

Atoms: 234
Models: 9
Best Energy: -8.398 kcal/mol

Binding Energies:
  • Pose 1: -8.398 kcal/mol
  • Pose 2: -8.09 kcal/mol
  • Pose 3: -7.673 kcal/mol
  • Pose 4: -7.516 kcal/mol
  • Pose 5: -7.416 kcal/mol
  • Pose 6: -7.164 kcal/mol
  • Pose 7: -6.852 kcal/mol
  • Pose 8: -6.737 kcal/mol
  • Pose 9: -6.592 kcal/mol
CHEMBL416787_dpp4
Energy Plot
RMSD Scatter Plot