Nicolas Tielker

The SAMPL6 challenge on predicting octanol–water partition coefficients from EC-RISM theory

Stefan M. Kast, Stefan Güssregen, Nicolas Tielker, 2020, Journal of Computer-Aided Molecular Design.

The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pKa, and cyclohexane–water log D

Stefan M. Kast, Stefan Güssregen, Jochen Heil, 2016, Journal of Computer-Aided Molecular Design.

The SAMPL6 challenge on predicting aqueous pKa values from EC-RISM theory

Stefan M. Kast, Stefan Güssregen, Nicolas Tielker, 2018, Journal of Computer-Aided Molecular Design.

Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge

David L. Mobley, Stefan M. Kast, Nicolas Tielker, 2021, Journal of Computer-Aided Molecular Design.

Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge

Nicolas Tielker, Teresa Danielle Bergazin, David Mobley, 2021, Journal of Computer-Aided Molecular Design.

SAMPL7 physical property prediction from EC-RISM theory

Stefan M. Kast, Stefan Güssregen, Nicolas Tielker, 2021, Journal of Computer-Aided Molecular Design.