The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D. - Nicolas Tielker; Daniel Tomazic; Jochen Heil; Thomas Kloss; Sebastian Ehrhart; Stefan Güssregen; K. Friedemann Schmidt; Stefan M. Kast (J. Comput. Aided Mol. Des., 2016)

The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory. - Nicolas Tielker; Daniel Tomazic; Lukas Eberlein; Stefan Güssregen; Stefan M. Kast (J. Comput. Aided Mol. Des., 2020)