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FORSCHUNGSBERICHT 1996-1998


 

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Institut für Informatik - Abt. V Lehrstuhl Prof. Lengauer

Allgemeine Angaben:
Römerstraße 164, 53117 Bonn, Telefon: 0228 / 73-4172 oder 02241 / 142777

Hauptamtliche Professoren
Prof. Dr. Ph.D. Thomas Lengauer

Wissenschaftliches Personal
Universitätsstellen
Dr. Oliver Eulenstein

Drittmittelstellen
Dipl.-Inform. Mike Schäfer (DFG)

Stipendiaten

Forschungsschwerpunkte
Findung von Duplikationsereignissen von Genen
(Eulenstein)

Diskrete Algorithmen in Naturwissenschaft und Technik
(Lengauer)

Molekulare Bioinformatik
(Lengauer)

Dreidimensionale Packungsprobleme
(Schäfer)

Besondere Forschungsförderung
Effiziente Algorithmen für diskrete Probleme und ihre Anwendungen
(Lengauer, DFG)

SFB 408 Anorganische Festkörper ohne Translationssymmetrie
(Lengauer, DFG)

Informatikmethoden zur Analyse und Interpretation großer genomischer Datenmengen
(Lengauert, DFG)

Veröffentlichungen
Eulenstein, O., Mirkin, B, Vingron, M:
Comparison of Annotation Duplication, Tree Mapping, and Copying as Methods to Compare Gene Trees with Species Trees
In "DIMACS Series in Discrete Mathematics and Theoretical Computer Sciences", volume 37, pp. 71-93. 1997.

Eulenstein, O., Mirkin, B., Vingron, M.:
Duplication-Based Measures of Difference Between Gene- and Species Trees
Journal of Computational Biology, 5:pp. 135-148, 1998.

Eulenstein, O., Vingron, M.:
On the equivalence of two tree mapping measures
Discr. Appl. Math., vol 88 no 1-3: pp. 103-128 1998.

Heckmann, R., Lengauer, T.:
Computing Upper and Lower Bounds on Textile Nesting Problems
In "Proceedings of the Fourth European Symposium on Algorithms (ESA'96)", pp. 392-405. Springer-Verlag, Heidelberg, Germany, 1996.

Heckmann, R., Lengauer, T.:
Computing Closely Matching Upper and Lower Bounds on Textile Nesting Problems
European Journal of Operational Research, 108, pp. 473-489, 1998.

Hofestädt, R, Lengauer, T., Löffler, M.:
Schwerpunktthema: Informatik in den Biowissenschaften
it+ti, Ausgabe 5. 1996.

Hofestädt, R., Lengauer, T, Löffler, M., Schomburg, D.,:
Bioinformatics
German Conference on Bioinformatics. Selected Papers, Berlin, 1997.

Hofmann, D., Lengauer, T.:
A Discrete Algorithm for Crystal Structure Prediction of Organic Molecules
Acta Crystallographica, 53:pp.225-235, 1997.

Hofmann, D.W.M., Lengauer, T.:
Crystal Structure Prediction based on Statistical Potentials
Journal of Molecular Modeling, 4:pp.132-144, 1998.

Koch, I., Lengauer, T., Wanko, E.:
An Algorithm for Finding all Common Subtopologies in a Set of Protein Structures
Journal of Computational Biology, 3:pp. 289-306, 1996.

Koch, I., Lengauer, T.:
Detection of Distant Structural Similarities in a Set of Proteins Using an Efficiente Graph-Based Algorithm
In T.Gaasterland et al., editors, "Fifth International Symposiumon Intelligent Systems for Molecular Biology", pp.167-178. AAAI Press, MenloPark, USA, 1997.

Kramer, B., Rarey, M., Lengauer, T.:
CASP-2 experiences with docking flexible ligands using FlexX
PROTEINS:22 Structure, Function, and Genetics, 1998.

Lemmen, C., Hiller, C., Lengauer, T.:
RigFit: A New Approach to Superimposing Ligand Molecules
Journal of Computer-Aided Molecular Design, vol 12,5:pp.491-502, 1998.

Lemmen, C., Lengauer, T., Klebe, G.:
FlexS: A Method for Fast Flexible Ligand Superposition
Journal of Medicinal Chemistry, 41,23:pp. 4502-4520, 1998.

Lemmen, C., Lengauer, T.:
Time-Efficient Flexible Superposition of Medium-Sized Molecules
Journal of Computer-Aided Molecular Design, 11:pp. 357-368, 1997.

Lemmen, C., Lengauer, T.:
Fragment-based Screening of Ligand Databases
In "Proceedings of EURO-QSAR'98", 1998.

Lengauer, T., Rarey, M.:
Methods for Predicting Molecular Complexes Involving Proteins
Current Opinion in Structural Biology, 6:pp. 402-406, 1996.

Lengauer, T.:
Molekulare Bioinformatik: Eine interdisziplinäre Herausforderung
In I. Wegener, editor, "Highlights der Informatik", pp.83-111. Springer-Verlag, Heidelberg, 1996.

Lengauer, T.:
Algorithmica
Spezialband über ESA'93, Volume 18, No. 3, 1997.

Lengauer, T.:
The Flex Approach-Analternative for receptor-ligand docking and computing crystal conformations
In H.van de Waterbeemd, B. Testa, and G.Folkers, editors, "Computer-Assisted Lead Finding and Optimization-Current Tools for Medicinal Chemistry", chapter25, pp. 399-420. Verlag Helvetica Acta, Basel, Switzerland, 1997.

Peinado, M., Lengauer, T.:
Parallel `Go with the winners' Generators with applications to Molecular Modeling
In J. Rolim, editor, "Randomization and Approximation Techniques in Computer Science", Springer-Verlag, Heidelberg, Germany, 1997.

Peinado, M., Lengauer, T.:
Parallel `go with the winners' algorithms on the LogP model
In "Proceedings of the 11th International Parallel Processing Symposium", pp. 656-664, IEEE Computer Society Press, Los Alamitos, California, 1997.

Rarey, M., Kramer, B., Lengauer, T., Klebe, G:
A fast flexible docking method using an incremental construction algorithm
Journal of Molecular Biology, 261:pp. 470-489, 1996.

Rarey, M., Kramer, B., Lengauer, T.:
Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention
Journal of Computer-Aided Molecular Design, 11:pp. 369-384, 1997.

Rarey, M., Wefing, S., Lengauer, T.:
Placement of medium-sized molecular fragments into the active site of proteins
Journal of Computer Aided Molecular Design, 10:pp. 41-54, 1996.

Zimmer, R., Lengauer, T.:
Fast and Numerically Stable Parametric Alignment of Biosequences
In M. Waterman, editor, "Proceedings of the First Annual Conference on Researchin Computational Molecular Biology (RECMOB'97)", pp. 344-353, 1997.


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