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

Docking Result

CHEMBL4789754_dpp4

Atoms: 261
Models: 9
Best Energy: -7.633 kcal/mol

Binding Energies:
  • Pose 1: -7.633 kcal/mol
  • Pose 2: -7.584 kcal/mol
  • Pose 3: -7.51 kcal/mol
  • Pose 4: -7.443 kcal/mol
  • Pose 5: -7.397 kcal/mol
  • Pose 6: -7.394 kcal/mol
  • Pose 7: -7.383 kcal/mol
  • Pose 8: -7.238 kcal/mol
  • Pose 9: -7.141 kcal/mol
CHEMBL4789754_dpp4
Energy Plot
RMSD Scatter Plot