Ensemble docking
Docks the compounds with Glide in 2 binding site conformations and reports the binding site conformation where it scores the best and the corresponding docking pose.
[32681] 22.2.4
See more details on https://kni.me/w/0iiFZOzYPqbTutC-
Workflow
Ensemble docking
Used extensions & nodes
Created with KNIME Analytics Platform version 5.1.1
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KNIME AG, Zurich, Switzerland
Version 5.1.0
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KNIME AG, Zurich, Switzerland
Version 5.1.1
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KNIME AG, Zurich, Switzerland
Version 5.1.1
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KNIME AG, Zurich, Switzerland
Version 5.1.0
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KNIME AG, Zurich, Switzerland
Versions 4.3.2, 4.7.1
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Schrödinger
Versions 21.3.79, 23.3.125
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