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Results: 10
Similarity searching in large combinatorial chemistry spaces
Authors:
Rarey, M Stahl, M
Citation:
M. Rarey et M. Stahl, Similarity searching in large combinatorial chemistry spaces, J COMPUT A, 15(6), 2001, pp. 497-520
FlexE: Efficient molecular docking considering protein structure variations
Authors:
Claussen, H Buning, C Rarey, M Lengauer, T
Citation:
H. Claussen et al., FlexE: Efficient molecular docking considering protein structure variations, J MOL BIOL, 308(2), 2001, pp. 377-395
Detailed analysis of scoring functions for virtual screening
Authors:
Stahl, M Rarey, M
Citation:
M. Stahl et M. Rarey, Detailed analysis of scoring functions for virtual screening, J MED CHEM, 44(7), 2001, pp. 1035-1042
A recursive algorithm for efficient combinatorial library docking
Authors:
Rarey, M Lengauer, T
Citation:
M. Rarey et T. Lengauer, A recursive algorithm for efficient combinatorial library docking, PERSP DR D, 20(1), 2000, pp. 63-81
Docking of hydrophobic ligands with interaction-based matching algorithms
Authors:
Rarey, M Kramer, B Lengauer, T
Citation:
M. Rarey et al., Docking of hydrophobic ligands with interaction-based matching algorithms, BIOINFORMAT, 15(3), 1999, pp. 243-250
Ligand docking and screening with FlexX
Authors:
Kramer, B Metz, G Rarey, M Lengauer, T
Citation:
B. Kramer et al., Ligand docking and screening with FlexX, MED CHEM RE, 9(7-8), 1999, pp. 463-478
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
Authors:
Kramer, B Rarey, M Lengauer, T
Citation:
B. Kramer et al., Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking, PROTEINS, 37(2), 1999, pp. 228-241
The particle concept: Placing discrete water molecules during protein-ligand docking predictions
Authors:
Rarey, M Kramer, B Lengauer, T
Citation:
M. Rarey et al., The particle concept: Placing discrete water molecules during protein-ligand docking predictions, PROTEINS, 34(1), 1999, pp. 17-28
Two-stage method for protein-ligand docking
Authors:
Hoffmann, D Kramer, B Washio, T Steinmetzer, T Rarey, M Lengauer, T
Citation:
D. Hoffmann et al., Two-stage method for protein-ligand docking, J MED CHEM, 42(21), 1999, pp. 4422-4433
Feature trees: A new molecular similarity measure based on tree matching
Authors:
Rarey, M Dixon, JS
Citation:
M. Rarey et Js. Dixon, Feature trees: A new molecular similarity measure based on tree matching, J COMPUT A, 12(5), 1998, pp. 471-490
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