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]
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.0
By using or downloading the workflow, you agree to our terms and conditions.
Discussions are currently not available, please try again later.