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Article ID: 361 - Last Modified:

Is it possible to prepare a protein at a user-defined pH?

Yes. You can set the protein pH in the Refine tab of the Protein Preparation Wizard. The PROPKA package is used to determine the protonation state of the protein. You can also use simplified rules for four different pH ranges instead of a pH value. The ligand pH can be set in the Review and Modify tab, and you can choose the state that you prefer.

Keywords: protein preparation, Maestro

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