Webinar Archives

Apr 19
2018

Tautomers, Conformers, and pKa: Useful QM approaches

Stephan Ehrlich

Senior Applications Scientist
Summary

- Understanding nano, micro and macro pKa
- QM based pKa prediction
- Why tautomers are important
- AutoConf: A multilevel workflow for tautomer prediction
- Outlook: QM based prediction of macro pKa

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