The TeachOpenCADD KNIME (v1.0.5) pipeline consists of eight inter-connected workflows (W1-8) , each containing one topic in computer-aided drug design.
The pipeline is illustrated using the epidermal growth factor receptor (EGFR), but can easily be applied to other targets of interest. Topics include how to fetch, filter and analyze compound data associated with a query targe.
Workflow
TeachOpenCADD - a teaching platform for computer-aided drug design using KNIME
External resources
Used extensions & nodes
Created with KNIME Analytics Platform version 4.7.0 Note: Not all extensions may be displayed.
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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KNIME AG, Zurich, Switzerland
Version 4.7.0
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NIBR
Version 4.7.0
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Vernalis Research Ltd, Cambridge, UK
Version 1.36.1
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