EPIK Ionization Penalty in Schrodinger Maestro: Less or More; Which is favourable?

Uddipta Ghosh Dastidar @Uddipta-Ghosh-Dastidar

21 February 2023 0 10K Report

In the LigPrep module of Schrodinger Maestro, using EPIK, several ionization states are generated for a single molecule. To choose among them according to ionization penalty values, are the states having lower ionization penalties better?

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