Tim ten Brink

A combined combinatorial and pKa-based approach to ligand protonation states

Thomas E. Exner, Tim ten Brink, 2010, J. Cheminformatics.

On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking

Thomas E. Exner, Christian Griesinger, Adam Mazur, 2015, J. Chem. Inf. Model..

Automated Structure Preparation and Its Influences on Protein-Ligand Docking and Virtual Screening

Tim ten Brink, T. Brink, 2011 .

Performance of Protein-Ligand Docking with Simulated Chemical Shift Perturbations

Thomas E. Exner, Isabelle Krimm, Tim ten Brink, 2015, J. Chem. Inf. Model..

Guiding protein-ligand docking with different experimental NMR-data

Thomas E. Exner, Oliver Korb, Christian Griesinger, 2012, Journal of Cheminformatics.

pKa based protonation states and microspecies for protein–ligand docking

Thomas E. Exner, Tim ten Brink, T. Exner, 2010, J. Comput. Aided Mol. Des..

Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein-Ligand Docking Results

Thomas E. Exner, Tim ten Brink, T. Exner, 2009, J. Chem. Inf. Model..

Fragment docking supported by NMR shift perturbations

Isabelle Krimm, Tim ten Brink, Clementine Aguirre, 2014, Journal of Cheminformatics.

Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?

Matthias Keil, Thomas E. Exner, Oliver Korb, 2012, Journal of Computer-Aided Molecular Design.