Docking and Scoring

Prepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing with Prime MM-GBSA. Build a MLR model for trying to predict the Glide score. Generate the ligand Interaction Diagrams for some poses. [Requires: LigPrep, Glide, Prime]


This is a companion discussion topic for the original entry at https://kni.me/w/kl7fWFOpVGJl69E0