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Protein preparation and Glide grid generation

Docking Glide

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Align the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligand complex composition and display the ligand structures in 2D. [Requires: Glide]

Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.3 Note: Not all extensions may be displayed.
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    KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 3.5.1

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    Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Versions 20.3.99, 21.1.135

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