Validate parameters 1-3

Validate Docking Parameters: 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. [Version: 2.2 Requires: Glide, LigPrep, Prime]


This is a companion discussion topic for the original entry at https://kni.me/w/PA6aZmllDtl1B8sF