Prepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare the results using an enrichment plot and a ROC curve. Do the same comparisons after post-processing the results with Prime MM-GBSA.
[Requires: Glide, LigPrep, Prime]
To use this workflow in KNIME, download it from the below URL and open it in KNIME:Download Workflow
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