Computergestützte Strukturbestimmung biochemischer Komplexe durch einen Fuzzy Logic-basierten Algorithmus - Thomas E. Exner (2000)

Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory. - Thomas E. Exner; Matthias Keil 001; Jürgen Brickmann (J. Comput. Chem., 2002)

Pattern recognition strategies for molecular surfaces. II. Surface complementarity. - Thomas E. Exner; Matthias Keil 001; Jürgen Brickmann (J. Comput. Chem., 2002)

Ab initio quality properties for macromolecules using the ADMA approach. - Thomas E. Exner; Paul G. Mezey (J. Comput. Chem., 2003)

Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network. - Matthias Keil 001; Thomas E. Exner; Jürgen Brickmann (J. Comput. Chem., 2004)

Hybrid Particle Swarm Optimization: An Examination of the Influence of Iterative Improvement Algorithms on Performance. - Jens Gimmler; Thomas Stützle; Thomas E. Exner (ANTS Workshop, 2006)

PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design. - Oliver Korb; Thomas Stützle; Thomas E. Exner (ANTS Workshop, 2006)

An ant colony optimization approach to flexible protein-ligand docking. - Oliver Korb; Thomas Stützle; Thomas E. Exner (Swarm Intell., 2007)

Parameterization of an empirical model for the prediction of n -octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients. - Mohamed Zerara; Jürgen Brickmann; Robert Kretschmer; Thomas E. Exner (J. Comput. Aided Mol. Des., 2009)

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

Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS. - Oliver Korb; Thomas Stützle; 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)

pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization. - Oliver Korb; Peter Monecke; Gerhard Hessler; Thomas Stützle; Thomas E. Exner (J. Chem. Inf. Model., 2010)

Accelerating Molecular Docking Calculations Using Graphics Processing Units. - Oliver Korb; Thomas Stützle; Thomas E. Exner (J. Chem. Inf. Model., 2011)

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)

Can quantum-chemical NMR chemical shifts be used as criterion for force-field development. - Thomas E. Exner; Andrea Frank; Heiko M. Möller; Martin Dracínský (J. Cheminformatics, 2014)

Data quality in drug discovery: the role of analytical performance in ligand binding assays. - Hermann Wätzig; Imke Oltmann-Norden; Franziska Steinicke; Hassan A. Alhazmi; Markus Nachbar; Deia Abd El-Hady; Hassan M. Albishri; Knut Baumann; Thomas E. Exner; Frank M. Boeckler; Sami El Deeb (J. Comput. Aided Mol. Des., 2015)

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)

Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine. - Markus O. Zimmermann; Andreas Lange; Stefan Zahn; Thomas E. Exner; Frank M. Boeckler (J. Chem. Inf. Model., 2016)

Supporting evidence-based analysis for modified risk tobacco products through a toxicology data-sharing infrastructure. - Stéphanie Boué; Thomas E. Exner; Samik Ghosh; Vincenzo Belcastro; Joh Dokler; David Page; Akash R. Boda; Filipe Bonjour; Barry J. Hardy; Patrick Vanscheeuwijck; Julia Hoeng; Manuel C. Peitsch (F1000Research, 2017)

Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery. - Johannes Heidrich; Thomas E. Exner; Frank M. Boeckler (J. Chem. Inf. Model., 2019)

Scaffold Effects on Halogen Bonding Strength. - Andreas Lange; Johannes Heidrich; Markus O. Zimmermann; Thomas E. Exner; Frank M. Boeckler (J. Chem. Inf. Model., 2019)

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials. - Jeaphianne P. M. van Rijn; Antreas Afantitis; Mustafa Culha; Maria Dusinska; Thomas E. Exner; Nina Jeliazkova; Eleonora Marta Longhin; Iseult Lynch; Georgia Melagraki; Penny Nymark; Anastasios G. Papadiamantis; David A. Winkler; et al. (J. Cheminformatics, 2022)