Replaces functional groups of each input ligand with bioisosteres, generating all the single replacements, and creates a new LiveReport for each input structure.
[32287] 22.4.0
See details in https://kni.me/w/XCthI8G93mBSF2F9
Workflow
Bioisostere replacement
Used extensions & nodes
Created with KNIME Analytics Platform version 4.6.1
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Schrödinger Extensions for KNIME
Schrödinger
Versions 22.1.119, 22.4.105, 22.4.96, 23.1.33
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