Thomas E. Exner

27 papers Journal 24Unranked 2

Year	Rank	Type	Title / Venue / Authors
2022	J	`jnl`	European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials. J. Cheminformatics 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, Hulya Yilmaz, Egon L. Willighagen
2019	J	`jnl`	Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery. J. Chem. Inf. Model. Johannes Heidrich, Thomas E. Exner, Frank M. Boeckler
2019	J	`jnl`	Scaffold Effects on Halogen Bonding Strength. J. Chem. Inf. Model. Andreas Lange, Johannes Heidrich, Markus O. Zimmermann, Thomas E. Exner, Frank M. Boeckler
2017	J	`jnl`	Supporting evidence-based analysis for modified risk tobacco products through a toxicology data-sharing infrastructure. F1000Research 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
2016	J	`jnl`	Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine. J. Chem. Inf. Model. Markus O. Zimmermann, Andreas Lange, Stefan Zahn, Thomas E. Exner, Frank M. Boeckler
2015	J	`jnl`	Data quality in drug discovery: the role of analytical performance in ligand binding assays. J. Comput. Aided Mol. Des. 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
2015	J	`jnl`	On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking. J. Chem. Inf. Model. Ionut Onila, Tim ten Brink, Kai Fredriksson, Luca Codutti, Adam Mazur, Christian Griesinger, Teresa Carlomagno, Thomas E. Exner
2015	J	`jnl`	Performance of Protein-Ligand Docking with Simulated Chemical Shift Perturbations. J. Chem. Inf. Model. Tim ten Brink, Clementine Aguirre, Thomas E. Exner, Isabelle Krimm
2014	J	`jnl`	Can quantum-chemical NMR chemical shifts be used as criterion for force-field development. J. Cheminformatics Thomas E. Exner, Andrea Frank, Heiko M. Möller, Martin Dracínský
2012	J	`jnl`	Are predefined decoy sets of ligand poses able to quantify scoring function accuracy? J. Comput. Aided Mol. Des. Oliver Korb, Tim ten Brink, Fredrick Robin Devadoss, Victor Paul Raj, Matthias Keil, Thomas E. Exner
2012	J	`jnl`	Guiding protein-ligand docking with different experimental NMR-data. J. Cheminformatics Tim ten Brink, Ionut Onila, Adam Mazur, Oliver Korb, Heiko M. Möller, Christian Griesinger, Teresa Carlomagno, Thomas E. Exner
2011	J	`jnl`	Accelerating Molecular Docking Calculations Using Graphics Processing Units. J. Chem. Inf. Model. Oliver Korb, Thomas Stützle, Thomas E. Exner
2010	J	`jnl`	A combined combinatorial and pKa-based approach to ligand protonation states. J. Cheminformatics Tim ten Brink, Thomas E. Exner
2010	J	`jnl`	pK J. Comput. Aided Mol. Des. Tim ten Brink, Thomas E. Exner
2010	J	`jnl`	pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization. J. Chem. Inf. Model. Oliver Korb, Peter Monecke, Gerhard Hessler, Thomas Stützle, Thomas E. Exner
2010	J	`jnl`	pharmACOphore: multiple flexible ligand alignment based on ant colony optimization. J. Cheminformatics Gerhard Hessler, Oliver Korb, Peter Monecke, Thomas Stützle, Thomas E. Exner
2009	J	`jnl`	Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS. J. Chem. Inf. Model. Oliver Korb, Thomas Stützle, Thomas E. Exner
2009	J	`jnl`	Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein-Ligand Docking Results. J. Chem. Inf. Model. Tim ten Brink, Thomas E. Exner
2009	J	`jnl`	Parameterization of an empirical model for the prediction of J. Comput. Aided Mol. Des. Mohamed Zerara, Jürgen Brickmann, Robert Kretschmer, Thomas E. Exner
2007	J	`jnl`	An ant colony optimization approach to flexible protein-ligand docking. Swarm Intell. Oliver Korb, Thomas Stützle, Thomas E. Exner
2006	—	`conf`	Hybrid Particle Swarm Optimization: An Examination of the Influence of Iterative Improvement Algorithms on Performance. ANTS Workshop Jens Gimmler, Thomas Stützle, Thomas E. Exner
2006	—	`conf`	PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design. ANTS Workshop Oliver Korb, Thomas Stützle, Thomas E. Exner
2004	J	`jnl`	Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network. J. Comput. Chem. Matthias Keil, Thomas E. Exner, Jürgen Brickmann
2003	J	`jnl`	Ab initio quality properties for macromolecules using the ADMA approach. J. Comput. Chem. Thomas E. Exner, Paul G. Mezey
2002	J	`jnl`	Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory. J. Comput. Chem. Thomas E. Exner, Matthias Keil, Jürgen Brickmann
2002	J	`jnl`	Pattern recognition strategies for molecular surfaces. II. Surface complementarity. J. Comput. Chem. Thomas E. Exner, Matthias Keil, Jürgen Brickmann
2000	—	`—`	Computergestützte Strukturbestimmung biochemischer Komplexe durch einen Fuzzy Logic-basierten Algorithmus Thomas E. Exner