Nicolas Tielker

According to our database, Nicolas Tielker authored at least 6 papers between 2016 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

SAMPL7 physical property prediction from EC-RISM theory.

Nicolas Tielker, Stefan Güssregen, Stefan M. Kast

J. Comput. Aided Mol. Des., 2021

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

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

Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, Junjun Mao, Marilyn R. Gunner, Karol Francisco, Carlo Ballatore, Stefan M. Kast, David L. Mobley

J. Comput. Aided Mol. Des., 2021

2020

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

2018

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

2016

The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous p<i>K</i> _a, and cyclohexane-water log <i>D</i>.

Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, K. Friedemann Schmidt, Stefan M. Kast

J. Comput. Aided Mol. Des., 2016