Evaluate the pKa of specified atoms using Jaguar.
[Requires: Ligprep, Jaguar] [Keywords: Quantum mechanics, pKa, parameter flow variables]
Workflow
Jaguar pKa
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KNIME AG, Zurich, Switzerland
Version 4.1.1
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KNIME AG, Zurich, Switzerland
Version 4.1.2
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Schrödinger
Version 20.4.68
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