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]
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.0
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