Curriculum Vitae - Dr. Thomas E. Exner - Universität Konstanz

Curriculum Vitae
Dr. Thomas E. Exner, Fachbereich Chemie, Universität Konstanz, 78457 Konstanz
PUBLICATIONS:
(1) Exner, T. E. "Critical Investigation on the Pseudobond Approach for QM/MM and
Fragment-Based QM methods", Int.J.Quantum.Chem. 111, 1002–1012 (2011).
(2) Domingo Köhler, S.; Spitzbarth, M.; Diederichs, K.; Exner, T. E.; Drescher, M. "A short
note on the analysis of distance measurements by electron paramagnetic resonance",
J.Mag.Res. 208, 167-170 (2010).
(3) ten Brink, T.; Exner, T. E. " pKa Based Protonation States and Microspecies for Protein-
Ligand Docking", J.Comput.Aided Mol.Des. 24, 935-942 (2010).
(4) Korb, O.; Monecke, P.; Hessler, G.; Stützle, T.; Exner, T. E. "pharmACOphore: Multiple
Flexible Ligand Alignment Based on Ant Colony Optimization", J.Chem.Inf.Model. 50,
1669-1681 (2010).
(5) Betz, K.; Streckenbach, F.; Schnur, A.; Exner, T. E.; Welte, W.; Diederichs, K.; Marx, A.
"Structures of DNA polymerases caught processing size-augmented nucleotide probes",
Angew.Chem.Int.Ed 49, 5181-5184 (2010).
(6) Korb, O.; Möller, H. M.; Exner, T. E. "NMR-guided Molecular Docking of a Protein-
Peptide Complex Based on Ant Colony Optimization", ChemMedChem 5, 1001-1006
(2010).
(7) Singh, V.; Azarkh, M.; Exner, T. E.; Hartig, J. S.; Drescher, M. " Human Telomeric
Quadruplex Conformations studied by EPR-PELDOR", Angew. Chem. Int. Ed. 48, 9728 –
9730 (2009).
(8) ten Brink, T.; Exner, T. E. "The Influence of Protonation States on Protein-Ligand
Docking Results", J.Chem.Inf.Model. 49, 1525-1546 (2009).
(9) Zonta, N.; Cozza, G.; Gianoncelli, A.; Korb, O.; Exner, T. E.; Meggio, F.; Zagotto, G.;
Moro, S. "Scouting Novel Protein Kinase A (PKA) Inhibitors by Using a Consensus
Docking Based Virtual Screening Approach", Lett.Drug Des.Decov.6 , 327-336 (2009).
(10) Exner, T. E. "Insights into the High Fidelity of a DNA Polymerase I Mutant",
J.Mol.Model. 15, 1271-1280 (2009).
(11) Eckard, S.; Exner, T. E. "Improvements for the Generalized Hybrid Orbital Method for
Fragment-Based Quantum Chemical Approaches", Int.J.Quatum.Chem. 109, 1451–1463
(2009).
(12) Korb, O.; Stützle, T.; Exner, T. E. "Empirical Scoring Functions for Advanced Protein-
Ligand Docking with PLANTS", J.Chem.Inf Model. 49, 84–96 (2009).
(13) Jouaux, E. M.; Timm, B.; Arndt, K. M.; Exner, T. E. "Optimization of a Myc-Interfering
Peptide Based on Molecular Dynamics Simulations", J.Peptid.Sci. 15, 5-15 (2009).
(14) Zerara, M.; Brickmann, J.; Kretschmer, R.; Exner, T. E. "Parametrization of the molecular
free energy surface density (MolFESD) for the prediction of n-octanol, alkane and
cyclohexane / water as well as brain-blood partition coefficients", J.Comp.-Aided Mol.
Design 23, 105-111 (2009).
(15) Keil, M.; Marhöfer, R. J.; Rohwer, A.; Selzer, P. M.; Brickmann, J.; Korb, O.; Exner, T.
E. "Molecular Visualization in the Rational Drug Design Process", Frontiers in
Bioscience 14, 2559-2583 (2009).
(16) Korb, O.; Stützle, T.; Exner, T. E. "An ant colony optimization approach to flexible
protein-ligand docking", Swarm Intell. 1, 115-134 (2007).
(17) Gimmler, J.; Stützle, T.; Exner, T. E. "Hybrid Particle Swarm Optimization: An
Examination of the Influence of Iterated Improvement Algorithms on the Optimization
Behaviour", Lecture Notes in Computer Science 4150, 436-443 (2006).