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Introduction
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Reference Guide
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15.4 Evaluate Ligand Score and Strain
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After you have edited a ligand and re-docked or minimized it you can evaluate the Score and Strain for the ligand. Ideally a good modification to your ligand will lower the score.

About the Score

  • VlsScore = the ICM-VLS score used for ligand screening. The lower the Score the better the predicted interaction. VLS score is available with ICM-Pro + VLS and ICM-Chemist-Pro products. This score incorporates the strain of the ligand compared to the free state.
  • LigStrain = The strain of the ligand. Lower values = less strain.
  • Score = This score does not incorporate ligand strain. Therefore it is VlsScore - LigStrain. The lower the Score the better the predicted interaction.

To evaluate the Score and Strain:

  • Click on the "Recalculate Binding Score Button".


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