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

Docking Result

CHEMBL5630282_dpp4

Atoms: 288
Models: 9
Best Energy: -8.464 kcal/mol

Binding Energies:
  • Pose 1: -8.464 kcal/mol
  • Pose 2: -8.236 kcal/mol
  • Pose 3: -8.062 kcal/mol
  • Pose 4: -8.011 kcal/mol
  • Pose 5: -7.824 kcal/mol
  • Pose 6: -7.775 kcal/mol
  • Pose 7: -7.548 kcal/mol
  • Pose 8: -7.484 kcal/mol
  • Pose 9: -7.398 kcal/mol
CHEMBL5630282_dpp4
Energy Plot
RMSD Scatter Plot