The SAMPL6 challenge on predicting aqueous pK a values from EC-RISM theory. - Nicolas Tielker; Lukas Eberlein; Stefan Güssregen; Stefan M. Kast (J. Comput. Aided Mol. Des., 2018)

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)

Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges? - Nicolas Tielker; Lukas Eberlein; Gerhard Hessler; K. Friedemann Schmidt; Stefan Güssregen; Stefan M. Kast (J. Comput. Aided Mol. Des., 2021)