Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein-Ligand Docking Results. - Tim ten Brink; Thomas E. Exner (J. Chem. Inf. Model., 2009)

pKa based protonation states and microspecies for protein-ligand docking. - Tim ten Brink; Thomas E. Exner (J. Comput. Aided Mol. Des., 2010)

A combined combinatorial and pKa-based approach to ligand protonation states. - Tim ten Brink; Thomas E. Exner (J. Cheminformatics, 2010)

Are predefined decoy sets of ligand poses able to quantify scoring function accuracy? - Oliver Korb; Tim ten Brink; Fredrick Robin Devadoss; Victor Paul Raj; Matthias Keil 001; Thomas E. Exner (J. Comput. Aided Mol. Des., 2012)

Guiding protein-ligand docking with different experimental NMR-data. - Tim ten Brink; Ionut Onila; Adam Mazur; Oliver Korb; Heiko M. Möller; Christian Griesinger; Teresa Carlomagno; Thomas E. Exner (J. Cheminformatics, 2012)

Fragment docking supported by NMR shift perturbations. - Tim ten Brink; Clementine Aguirre; Isabelle Krimm (J. Cheminformatics, 2014)

Performance of Protein-Ligand Docking with Simulated Chemical Shift Perturbations. - Tim ten Brink; Clementine Aguirre; Thomas E. Exner; Isabelle Krimm (J. Chem. Inf. Model., 2015)

On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking. - Ionut Onila; Tim ten Brink; Kai Fredriksson; Luca Codutti; Adam Mazur; Christian Griesinger; Teresa Carlomagno; Thomas E. Exner (J. Chem. Inf. Model., 2015)