LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations. - Paul Czodrowski; Chresten R. Søndergaard; Sebastian Dohm; Gerhard Klebe; Jens Erik Nielsen (J. Cheminformatics, 2011)

Developing adaptive QM/MM computer simulations for electrochemistry. - Sebastian Dohm; Eckhard Spohr; Martin Korth (J. Comput. Chem., 2017)