Introduction to Epik
Epik version 7 (Epik) is a complete redesign of Epik–the classic pKa and protonation state prediction software–that leverages Schrödinger’s powerful machine learning platform for more accurate results across broader chemical space.
In the Epik panel, once you set up and run a job that predicts the pKa of the ionizable atoms in your structures, or generates structures with probable ionization and tautomerization states based on the predicted pKa values.