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Protonation forms

LiveDesignLigPrepEpikSchrodinger
S
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Jan 31, 2020 9:33 AM
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Generates protonation forms with Epik and adds a new column with the structure of the most probable form. [32679] 21.2.0 See more details on https://kni.me/w/eYOlcu887qiyU9mm
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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 & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
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    KNIME Basic File System ConnectorsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.1

    knime
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    KNIME JavasnippetTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
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    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

    knime
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    Schrödinger Extensions for KNIMETrusted extension

    Schrödinger

    Version 22.3.121

    S
    schroedinger

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