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Docking and protein surface

LiveDesign Glide LigPrep SiteMap Schrodinger
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Docks the compounds with Glide. Also generates the protein surface and changes the rendering of the binding site (atoms displayed, residues labelled and the atom representation) to highlight important residues. [32680] 22.2.4

Used extensions & nodes

Created with KNIME Analytics Platform version 4.6.1 Note: Not all extensions may be displayed.
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    KNIME Base Chemistry Types & Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
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    KNIME Basic File System Connectors Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.6.1

    knime
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    KNIME Javasnippet Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.6.0

    knime
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    KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Versions 4.3.2, 4.6.0

    knime
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    Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Versions 21.2.102, 22.2.110, 22.4.125

    Schroedinger profile image
    schroedinger
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