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

Docking Result

CHEMBL2385278_dpp4

Atoms: 216
Models: 9
Best Energy: -7.459 kcal/mol

Binding Energies:
  • Pose 1: -7.459 kcal/mol
  • Pose 2: -7.402 kcal/mol
  • Pose 3: -7.4 kcal/mol
  • Pose 4: -7.387 kcal/mol
  • Pose 5: -7.295 kcal/mol
  • Pose 6: -7.286 kcal/mol
  • Pose 7: -7.249 kcal/mol
  • Pose 8: -7.223 kcal/mol
  • Pose 9: -7.108 kcal/mol
CHEMBL2385278_dpp4
Energy Plot
RMSD Scatter Plot