Starting from a linear compound macrocyclizations are created, the conformations sampled and compared for a cocrystallized ligand.
Workflow
Macrocyclization
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KNIME AG, Zurich, Switzerland
Version 4.3.0
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KNIME AG, Zurich, Switzerland
Version 4.3.2
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Schrödinger
Versions 20.2.40, 20.2.72, 21.3.59
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