 | 2012 |
| 10 |  | Oliver Korb,
Tim ten Brink,
Fredrick Robin Devadoss Victor Paul Raj,
Matthias Keil,
Thomas E. Exner:
Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?
Journal of Computer-Aided Molecular Design 26(2): 185-197 (2012) |
| 2010 |
| 9 |  | Tim ten Brink,
Thomas E. Exner:
pKa based protonation states and microspecies for protein-ligand docking.
Journal of Computer-Aided Molecular Design 24(11): 935-942 (2010) |
| 2009 |
| 8 |  | Mohamed Zerara,
Jürgen Brickmann,
Robert Kretschmer,
Thomas E. Exner:
Parameterization of an empirical model for the prediction of n -octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients.
Journal of Computer-Aided Molecular Design 23(2): 105-111 (2009) |
| 2007 |
| 7 |  | Oliver Korb,
Thomas Stützle,
Thomas E. Exner:
An ant colony optimization approach to flexible protein-ligand docking.
Swarm Intelligence 1(2): 115-134 (2007) |
| 2006 |
| 6 |  | Oliver Korb,
Thomas Stützle,
Thomas E. Exner:
PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design.
ANTS Workshop 2006: 247-258 |
| 5 |  | Jens Gimmler,
Thomas Stützle,
Thomas E. Exner:
Hybrid Particle Swarm Optimization: An Examination of the Influence of Iterative Improvement Algorithms on Performance.
ANTS Workshop 2006: 436-443 |
| 2004 |
| 4 |  | Matthias Keil,
Thomas E. Exner,
Jürgen Brickmann:
Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network.
Journal of Computational Chemistry 25(6): 779-789 (2004) |
| 2003 |
| 3 |  | Thomas E. Exner,
Paul G. Mezey:
Ab initio quality properties for macromolecules using the ADMA approach.
Journal of Computational Chemistry 24(16): 1980-1986 (2003) |
| 2002 |
| 2 |  | Thomas E. Exner,
Matthias Keil,
Jürgen Brickmann:
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory.
Journal of Computational Chemistry 23(12): 1176-1187 (2002) |
| 1 |  | Thomas E. Exner,
Matthias Keil,
Jürgen Brickmann:
Pattern recognition strategies for molecular surfaces. II. Surface complementarity.
Journal of Computational Chemistry 23(12): 1188-1197 (2002) |