Gerhard Klebe

2007
17	EE	Eyke Hüllermeier, Nils Weskamp, Gerhard Klebe, Daniel Kuhn: Graph Alignment: Fuzzy Pattern Mining for the Structural Analysis of Protein Active Sites. FUZZ-IEEE 2007: 1-6
16	EE	Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe: Multiple Graph Alignment for the Structural Analysis of Protein Active Sites. IEEE/ACM Trans. Comput. Biology Bioinform. 4(2): 310-320 (2007)
15	EE	Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens E. Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker: PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Research 35(Web-Server-Issue): 522-525 (2007)
2006
14	EE	Peter Block, Christoph A. Sotriffer, Ingo Dramburg, Gerhard Klebe: AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB. Nucleic Acids Research 34(Database-Issue): 522-526 (2006)
2004
13		Nils Weskamp, Eyke Hüllermeier, Daniel Kuhn, Gerhard Klebe: Graph Alignments: A New Concept to Detect Conserved Regions in Protein Active Sites. German Conference on Bioinformatics 2004: 131-140
12	EE	Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, Gerhard Klebe: Efficient similarity search in protein structure databases by k-clique hashing. Bioinformatics 20(10): 1522-1526 (2004)
2003
11		Nils Weskamp, Daniel Kuhn, Eyke Hüllermeier, Gerhard Klebe: Efficient Similarity Search in Protein Structure Databases: Improving Cliqae-Detection through Clique Hashing. German Conference on Bioinformatics 2003: 179-184
10	EE	Jonas Boström, Markus Böhm, Klaus Gundertofte, Gerhard Klebe: A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists. Journal of Chemical Information and Computer Sciences 43(3): 1020-1027 (2003)
2000
9	EE	J. Willem, M. Nissink, Marcel L. Verdonk, Gerhard Klebe: Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation. Journal of Computer-Aided Molecular Design 14(8): 787-803 (2000)
1999
8	EE	Gerhard Klebe, Ute Abraham: Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries. Journal of Computer-Aided Molecular Design 13(1): 1-10 (1999)
7	EE	Gerhard Klebe, Thomas Mietzner, Frank Weber: Methodological developments and strategies for a fast flexible superposition of drug-size molecules. Journal of Computer-Aided Molecular Design 13(1): 35-49 (1999)
1997
6	EE	J. W. M. Nissink, Marcel L. Verdonk, Jan Kroon, Thomas Mietzner, Gerhard Klebe: Superposition of molecules: Electron density fitting by application of fourier transforms. Journal of Computational Chemistry 18(5): 638-645 (1997)
1996
5		C. H. Schwab, Sandra Handschuh, Andreas Teckentrup, Markus Wagener, Jens Sadowski, Johann Gasteiger, Paul Levi, T. Will, Andreas Zell, H. Siemens, Gerhard Klebe, Thomas Mietzner, Frank Weber, Gerhard Barnickel, Scheila Anzali, Michael Krug: A Systemsatic Approach to Finding New Lead Structures Having Biological Activity. German Conference on Bioinformatics - Selected Papers 1996: 166-177
1994
4	EE	Jens Sadowski, Johann Gasteiger, Gerhard Klebe: Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures. Journal of Chemical Information and Computer Sciences 34(4): 1000-1008 (1994)
3		Gerhard Klebe, Thomas Mietzner: A fast and efficient method to generate biologically relevant conformations. Journal of Computer-Aided Molecular Design 8(5): 583-606 (1994)
2		Gerhard Klebe, Thomas Mietzner, Frank Weber: Different approaches toward an automatic structural alignment of drug moleculars: Applications to sterol mimics, thrombin and thermolysin inhibitors. Journal of Computer-Aided Molecular Design 8(6): 751-778 (1994)
1989
1		Gerhard Klebe: Durch die Berechnung von Moleküleigenschaften zum gezielten Entwurf von neuen Wirkstoffen. Supercomputer 1989: 147-160

Coauthor Index

1	Ute Abraham	[8]
2	Scheila Anzali	[5]
3	Nathan A. Baker	[15]
4	Gerhard Barnickel	[5]
5	Peter Block	[14]
6	Markus Böhm	[10]
7	Jonas Boström	[10]
8	Paul Czodrowski	[15]
9	Todd J. Dolinsky	[15]
10	Ingo Dramburg	[14]
11	Johann Gasteiger	[4] [5]
12	Klaus Gundertofte	[10]
13	Sandra Handschuh	[5]
14	Eyke Hüllermeier	[11] [12] [13] [16] [17]
15	Jan H. Jensen	[15]
16	Jan Kroon	[6]
17	Michael Krug	[5]
18	Daniel Kuhn	[11] [12] [13] [16] [17]
19	Paul Levi	[5]
20	Hui Li	[15]
21	Thomas Mietzner	[2] [3] [5] [6] [7]
22	Jens E. Nielsen	[15]
23	J. W. M. Nissink	[6]
24	M. Nissink	[9]
25	Jens Sadowski	[4] [5]
26	C. H. Schwab	[5]
27	H. Siemens	[5]
28	Christoph A. Sotriffer	[14]
29	Andreas Teckentrup	[5]
30	Marcel L. Verdonk	[6] [9]
31	Markus Wagener	[5]
32	Frank Weber	[2] [5] [7]
33	Nils Weskamp	[11] [12] [13] [16] [17]
34	T. Will	[5]
35	J. Willem	[9]
36	Andreas Zell	[5]

Colors in the list of coauthors