Docking 1-3

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. [Version: 1.7 Requires: LigPrep, Glide, Prime]


This is a companion discussion topic for the original entry at https://kni.me/w/SkgdPtPP714M_pZT