# References

[Sondergaard2011]

C. R. Søndergaard, M. H. M. Olsson, M. Rostkowski, and J. H. Jensen. Improved treatment of ligands and coupling effects in empirical calculation and rationalization of pKa values. Journal of Chemical Theory and Computation, 7(7):2284–2295, 2011. doi: 10.1021/ct200133y

[Olsson2011]

M. H. M. Olsson, C. R. Søndergaard, M. Rostkowski, and J. H. Jensen. PROPKA3: Consistent treat- ment of internal and surface residues in empirical pKa predictions. Journal of Chemical Theory and Computation, 7(2):525–537, 2011. doi: 10.1021/ct100578z