Schrödinger extension for KNIME Workbench version 22.214.171.124011110821 by Schrödinger
Computes a modified docking score based on the number of poses within each energy well. Input poses should come from Glide, saving 100 poses per ligand. The criteria for duplicate pose elimination should be reduced to zero (in the Clustering section under Advanced options in the Output tab of the Glide Docking panel) in order to ensure a full sampling of each energy well.Platform Limitations: Linux only
To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:
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